2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide

C27H35N7O2 — CID 138686539

IUPAC2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(NCC(=O)N(C)C)CC3)nc12
InChIInChI=1S/C27H35N7O2/c1-16(2)24-25(18-11-19(14-35)27-29-15-30-34(27)13-18)32-22-10-9-21(31-26(22)24)17-5-7-20(8-6-17)28-12-23(36)33(3)4/h9-11,13,15-17,20,28,32,35H,5-8,12,14H2,1-4H3
InChIKeyCOEKTMABSKPFMF-UHFFFAOYSA-N
MW489.62 g/mol
LogP3.59
Rot. Bonds7

About 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide

2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide (PubChem CID 138686539) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
PubChem CID138686539
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(NCC(=O)N(C)C)CC3)nc12
InChIInChI=1S/C27H35N7O2/c1-16(2)24-25(18-11-19(14-35)27-29-15-30-34(27)13-18)32-22-10-9-21(31-26(22)24)17-5-7-20(8-6-17)28-12-23(36)33(3)4/h9-11,13,15-17,20,28,32,35H,5-8,12,14H2,1-4H3
InChIKeyCOEKTMABSKPFMF-UHFFFAOYSA-N
XLogP3.59
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide (CID 138686539) is 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide is CC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(NCC(=O)N(C)C)CC3)nc12.
What is the InChIKey of 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?
The InChIKey is COEKTMABSKPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-16(2)24-25(18-11-19(14-35)27-29-15-30-34(27)13-18)32-22-10-9-21(31-26(22)24)17-5-7-20(8-6-17)28-12-23(36)33(3)4/h9-11,13,15-17,20,28,32,35H,5-8,12,14H2,1-4H3.
What are the key properties of 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide?
2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide has a molecular weight of 489.62 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[8-(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 138686539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).