1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C115H132F3N49O5 — CID 167585638

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOC1(C)CCC(n2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.COC1CC(Cn2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.COC1CCC1Cn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCC1CCC(n2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCN(C)CC3(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3F)c2n1
InChIInChI=1S/2C20H24N8O.C19H21F2N9.2C19H22N8O.C18H19FN8O/c1-12-7-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-5-6-20(3,8-14)29-4;1-12-6-18-22-11-23-27(18)9-17(12)24-20-21-8-16-13(2)26-28(19(16)25-20)15-5-4-14(7-15)10-29-3;1-11-6-16-23-10-24-29(16)8-14(11)25-18-22-7-13-12(2)27-30(17(13)26-18)15-4-5-28(3)9-19(15,20)21;1-11-4-17-21-10-22-26(17)9-16(11)23-19-20-7-15-12(2)25-27(18(15)24-19)8-13-5-14(6-13)28-3;1-11-6-17-21-10-22-26(17)9-15(11)23-19-20-7-14-12(2)25-27(18(14)24-19)8-13-4-5-16(13)28-3;1-10-5-16-21-9-22-26(16)7-14(10)23-18-20-6-12-11(2)25-27(17(12)24-18)15-3-4-28-8-13(15)19/h7,9-11,14H,5-6,8H2,1-4H3,(H,21,24,25);6,8-9,11,14-15H,4-5,7,10H2,1-3H3,(H,21,24,25);6-8,10,15H,4-5,9H2,1-3H3,(H,22,25,26);4,7,9-10,13-14H,5-6,8H2,1-3H3,(H,20,23,24);6-7,9-10,13,16H,4-5,8H2,1-3H3,(H,20,23,24);5-7,9,13,15H,3-4,8H2,1-2H3,(H,20,23,24)
InChIKeyHTNWCIBSVVNEIP-UHFFFAOYSA-N
MW2337.65 g/mol
LogP17.16
Rot. Bonds25

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 167585638) has the molecular formula C115H132F3N49O5 and a molecular weight of 2337.65 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID167585638
Molecular FormulaC115H132F3N49O5
Molecular Weight2337.65 g/mol
Exact Mass2336.15
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCOC1(C)CCC(n2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.COC1CC(Cn2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.COC1CCC1Cn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCC1CCC(n2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCN(C)CC3(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3F)c2n1
InChIInChI=1S/2C20H24N8O.C19H21F2N9.2C19H22N8O.C18H19FN8O/c1-12-7-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-5-6-20(3,8-14)29-4;1-12-6-18-22-11-23-27(18)9-17(12)24-20-21-8-16-13(2)26-28(19(16)25-20)15-5-4-14(7-15)10-29-3;1-11-6-16-23-10-24-29(16)8-14(11)25-18-22-7-13-12(2)27-30(17(13)26-18)15-4-5-28(3)9-19(15,20)21;1-11-4-17-21-10-22-26(17)9-16(11)23-19-20-7-15-12(2)25-27(18(15)24-19)8-13-5-14(6-13)28-3;1-11-6-17-21-10-22-26(17)9-15(11)23-19-20-7-14-12(2)25-27(18(14)24-19)8-13-4-5-16(13)28-3;1-10-5-16-21-9-22-26(16)7-14(10)23-18-20-6-12-11(2)25-27(17(12)24-18)15-3-4-28-8-13(15)19/h7,9-11,14H,5-6,8H2,1-4H3,(H,21,24,25);6,8-9,11,14-15H,4-5,7,10H2,1-3H3,(H,21,24,25);6-8,10,15H,4-5,9H2,1-3H3,(H,22,25,26);4,7,9-10,13-14H,5-6,8H2,1-3H3,(H,20,23,24);6-7,9-10,13,16H,4-5,8H2,1-3H3,(H,20,23,24);5-7,9,13,15H,3-4,8H2,1-2H3,(H,20,23,24)
InChIKeyHTNWCIBSVVNEIP-UHFFFAOYSA-N
XLogP17.16
TPSA564.31 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds25
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002337.65
LogP ≤ 517.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Analyze 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 167585638) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is COC1(C)CCC(n2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.COC1CC(Cn2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.COC1CCC1Cn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCC1CCC(n2nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)C1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCN(C)CC3(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3F)c2n1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is HTNWCIBSVVNEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H24N8O.C19H21F2N9.2C19H22N8O.C18H19FN8O/c1-12-7-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-5-6-20(3,8-14)29-4;1-12-6-18-22-11-23-27(18)9-17(12)24-20-21-8-16-13(2)26-28(19(16)25-20)15-5-4-14(7-15)10-29-3;1-11-6-16-23-10-24-29(16)8-14(11)25-18-22-7-13-12(2)27-30(17(13)26-18)15-4-5-28(3)9-19(15,20)21;1-11-4-17-21-10-22-26(17)9-16(11)23-19-20-7-15-12(2)25-27(18(15)24-19)8-13-5-14(6-13)28-3;1-11-6-17-21-10-22-26(17)9-15(11)23-19-20-7-14-12(2)25-27(18(14)24-19)8-13-4-5-16(13)28-3;1-10-5-16-21-9-22-26(16)7-14(10)23-18-20-6-12-11(2)25-27(17(12)24-18)15-3-4-28-8-13(15)19/h7,9-11,14H,5-6,8H2,1-4H3,(H,21,24,25);6,8-9,11,14-15H,4-5,7,10H2,1-3H3,(H,21,24,25);6-8,10,15H,4-5,9H2,1-3H3,(H,22,25,26);4,7,9-10,13-14H,5-6,8H2,1-3H3,(H,20,23,24);6-7,9-10,13,16H,4-5,8H2,1-3H3,(H,20,23,24);5-7,9,13,15H,3-4,8H2,1-2H3,(H,20,23,24).
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 2337.65 g/mol, XLogP of 17.16, 25 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-fluorooxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(2-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[(3-methoxycyclobutyl)methyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxy-3-methylcyclopentyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[3-(methoxymethyl)cyclopentyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167585638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).