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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine

C30H37N9 — CID 138686217

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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine
SMILESCc1ncc(CN(C)C2CCN(c3ccc4[nH]c(-c5cn6ncnc6c(C)c5C)c(C(C)C)c4n3)CC2)cn1
InChIInChI=1S/C30H37N9/c1-18(2)27-28(24-16-39-30(33-17-34-39)20(4)19(24)3)35-25-7-8-26(36-29(25)27)38-11-9-23(10-12-38)37(6)15-22-13-31-21(5)32-14-22/h7-8,13-14,16-18,23,35H,9-12,15H2,1-6H3
InChIKeySGWUVWWSYGZEFM-UHFFFAOYSA-N
MW523.69 g/mol
LogP5.21
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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine (PubChem CID 138686217) has the molecular formula C30H37N9 and a molecular weight of 523.69 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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine
PubChem CID138686217
Molecular FormulaC30H37N9
Molecular Weight523.69 g/mol
Exact Mass523.32
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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine
SMILESCc1ncc(CN(C)C2CCN(c3ccc4[nH]c(-c5cn6ncnc6c(C)c5C)c(C(C)C)c4n3)CC2)cn1
InChIInChI=1S/C30H37N9/c1-18(2)27-28(24-16-39-30(33-17-34-39)20(4)19(24)3)35-25-7-8-26(36-29(25)27)38-11-9-23(10-12-38)37(6)15-22-13-31-21(5)32-14-22/h7-8,13-14,16-18,23,35H,9-12,15H2,1-6H3
InChIKeySGWUVWWSYGZEFM-UHFFFAOYSA-N
XLogP5.21
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.69
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine (CID 138686217) 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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine is Cc1ncc(CN(C)C2CCN(c3ccc4[nH]c(-c5cn6ncnc6c(C)c5C)c(C(C)C)c4n3)CC2)cn1.
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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine?
The InChIKey is SGWUVWWSYGZEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N9/c1-18(2)27-28(24-16-39-30(33-17-34-39)20(4)19(24)3)35-25-7-8-26(36-29(25)27)38-11-9-23(10-12-38)37(6)15-22-13-31-21(5)32-14-22/h7-8,13-14,16-18,23,35H,9-12,15H2,1-6H3.
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-[(2-methylpyrimidin-5-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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine has a molecular weight of 523.69 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 138686217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).