1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C33H44N6O — CID 148671431

IUPAC1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCc1c(-c2[nH]c3ccc(C4CCC(CC5(C(=O)N(C)C)CCCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C33H44N6O/c1-20(2)28-29(25-18-39-31(34-19-35-39)22(4)21(25)3)37-27-14-13-26(36-30(27)28)24-11-9-23(10-12-24)17-33(15-7-8-16-33)32(40)38(5)6/h13-14,18-20,23-24,37H,7-12,15-17H2,1-6H3
InChIKeyNPUHCCFRBRRZGJ-UHFFFAOYSA-N
MW540.76 g/mol
LogP7.33
Rot. Bonds6

About 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 148671431) has the molecular formula C33H44N6O and a molecular weight of 540.76 g/mol. Its IUPAC name is 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID148671431
Molecular FormulaC33H44N6O
Molecular Weight540.76 g/mol
Exact Mass540.36
IUPAC Name1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCc1c(-c2[nH]c3ccc(C4CCC(CC5(C(=O)N(C)C)CCCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C33H44N6O/c1-20(2)28-29(25-18-39-31(34-19-35-39)22(4)21(25)3)37-27-14-13-26(36-30(27)28)24-11-9-23(10-12-24)17-33(15-7-8-16-33)32(40)38(5)6/h13-14,18-20,23-24,37H,7-12,15-17H2,1-6H3
InChIKeyNPUHCCFRBRRZGJ-UHFFFAOYSA-N
XLogP7.33
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.76
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 148671431) is 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide is Cc1c(-c2[nH]c3ccc(C4CCC(CC5(C(=O)N(C)C)CCCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is NPUHCCFRBRRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O/c1-20(2)28-29(25-18-39-31(34-19-35-39)22(4)21(25)3)37-27-14-13-26(36-30(27)28)24-11-9-23(10-12-24)17-33(15-7-8-16-33)32(40)38(5)6/h13-14,18-20,23-24,37H,7-12,15-17H2,1-6H3.
What are the key properties of 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 540.76 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[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]cyclohexyl]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 148671431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).