1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine

C28H36N10 — CID 138725211

IUPAC1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(N(C)Cc5cn(C)nn5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N10/c1-17(2)25-26(22-15-38-28(29-16-30-38)19(4)18(22)3)31-23-7-8-24(32-27(23)25)37-11-9-21(10-12-37)35(5)13-20-14-36(6)34-33-20/h7-8,14-17,21,31H,9-13H2,1-6H3
InChIKeyMKGVTWOKPFANTA-UHFFFAOYSA-N
MW512.67 g/mol
LogP4.24
Rot. Bonds6

About 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine

1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine (PubChem CID 138725211) has the molecular formula C28H36N10 and a molecular weight of 512.67 g/mol. Its IUPAC name is 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
PubChem CID138725211
Molecular FormulaC28H36N10
Molecular Weight512.67 g/mol
Exact Mass512.31
IUPAC Name1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(N(C)Cc5cn(C)nn5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N10/c1-17(2)25-26(22-15-38-28(29-16-30-38)19(4)18(22)3)31-23-7-8-24(32-27(23)25)37-11-9-21(10-12-37)35(5)13-20-14-36(6)34-33-20/h7-8,14-17,21,31H,9-13H2,1-6H3
InChIKeyMKGVTWOKPFANTA-UHFFFAOYSA-N
XLogP4.24
TPSA96.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.67
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine (CID 138725211) is 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine is Cc1c(-c2[nH]c3ccc(N4CCC(N(C)Cc5cn(C)nn5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is MKGVTWOKPFANTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N10/c1-17(2)25-26(22-15-38-28(29-16-30-38)19(4)18(22)3)31-23-7-8-24(32-27(23)25)37-11-9-21(10-12-37)35(5)13-20-14-36(6)34-33-20/h7-8,14-17,21,31H,9-13H2,1-6H3.
What are the key properties of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine?
1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 512.67 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 138725211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).