6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine

C40H43ClF4N14 — CID 167585971

IUPAC6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine
SMILESCc1cc2nccn2cc1N.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCC(F)(F)CC3)c2n1.Cc1nn(C2CCC(F)(F)CC2)c2nc(Cl)ncc12
InChIInChI=1S/C20H21F2N7.C12H13ClF2N4.C8H9N3/c1-12-9-17-23-7-8-28(17)11-16(12)25-19-24-10-15-13(2)27-29(18(15)26-19)14-3-5-20(21,22)6-4-14;1-7-9-6-16-11(13)17-10(9)19(18-7)8-2-4-12(14,15)5-3-8;1-6-4-8-10-2-3-11(8)5-7(6)9/h7-11,14H,3-6H2,1-2H3,(H,24,25,26);6,8H,2-5H2,1H3;2-5H,9H2,1H3
InChIKeyHUPCGUNDXIIQGD-UHFFFAOYSA-N
MW831.33 g/mol
LogP9.35
Rot. Bonds4

About 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine

6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine (PubChem CID 167585971) has the molecular formula C40H43ClF4N14 and a molecular weight of 831.33 g/mol. Its IUPAC name is 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine
PubChem CID167585971
Molecular FormulaC40H43ClF4N14
Molecular Weight831.33 g/mol
Exact Mass830.34
IUPAC Name6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine
SMILESCc1cc2nccn2cc1N.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCC(F)(F)CC3)c2n1.Cc1nn(C2CCC(F)(F)CC2)c2nc(Cl)ncc12
InChIInChI=1S/C20H21F2N7.C12H13ClF2N4.C8H9N3/c1-12-9-17-23-7-8-28(17)11-16(12)25-19-24-10-15-13(2)27-29(18(15)26-19)14-3-5-20(21,22)6-4-14;1-7-9-6-16-11(13)17-10(9)19(18-7)8-2-4-12(14,15)5-3-8;1-6-4-8-10-2-3-11(8)5-7(6)9/h7-11,14H,3-6H2,1-2H3,(H,24,25,26);6,8H,2-5H2,1H3;2-5H,9H2,1H3
InChIKeyHUPCGUNDXIIQGD-UHFFFAOYSA-N
XLogP9.35
TPSA159.85 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500831.33
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine with MolForge

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Related Compounds

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9-phenyl-8-(4-((4-(4-(pyridin-2-yl)-1H-imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
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6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
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8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
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3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1-methylpyrazol-3-yl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-2-amine
CID 62706471

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine (CID 167585971) is 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine is Cc1cc2nccn2cc1N.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCC(F)(F)CC3)c2n1.Cc1nn(C2CCC(F)(F)CC2)c2nc(Cl)ncc12.
What is the InChIKey of 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is HUPCGUNDXIIQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7.C12H13ClF2N4.C8H9N3/c1-12-9-17-23-7-8-28(17)11-16(12)25-19-24-10-15-13(2)27-29(18(15)26-19)14-3-5-20(21,22)6-4-14;1-7-9-6-16-11(13)17-10(9)19(18-7)8-2-4-12(14,15)5-3-8;1-6-4-8-10-2-3-11(8)5-7(6)9/h7-11,14H,3-6H2,1-2H3,(H,24,25,26);6,8H,2-5H2,1H3;2-5H,9H2,1H3.
What are the key properties of 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine?
6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 831.33 g/mol, XLogP of 9.35, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4,4-difluorocyclohexyl)-3-methylpyrazolo[3,4-d]pyrimidine;1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 167585971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).