N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide

C29H37N7O2 — CID 138686955

IUPACN-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(NC(=O)C5CCN(C)CC5)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H37N7O2/c1-17(2)25-26(20-14-24(38-4)28-30-16-31-36(28)15-20)34-23-8-7-22(33-27(23)25)19-5-6-21(13-19)32-29(37)18-9-11-35(3)12-10-18/h7-8,14-19,21,34H,5-6,9-13H2,1-4H3,(H,32,37)
InChIKeyRBTLQFQTYQAFGE-UHFFFAOYSA-N
MW515.66 g/mol
LogP4.50
Rot. Bonds6

About N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide

N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide (PubChem CID 138686955) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide
PubChem CID138686955
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC NameN-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(NC(=O)C5CCN(C)CC5)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H37N7O2/c1-17(2)25-26(20-14-24(38-4)28-30-16-31-36(28)15-20)34-23-8-7-22(33-27(23)25)19-5-6-21(13-19)32-29(37)18-9-11-35(3)12-10-18/h7-8,14-19,21,34H,5-6,9-13H2,1-4H3,(H,32,37)
InChIKeyRBTLQFQTYQAFGE-UHFFFAOYSA-N
XLogP4.50
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide (CID 138686955) is N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide is COc1cc(-c2[nH]c3ccc(C4CCC(NC(=O)C5CCN(C)CC5)C4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RBTLQFQTYQAFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-17(2)25-26(20-14-24(38-4)28-30-16-31-36(28)15-20)34-23-8-7-22(33-27(23)25)19-5-6-21(13-19)32-29(37)18-9-11-35(3)12-10-18/h7-8,14-19,21,34H,5-6,9-13H2,1-4H3,(H,32,37).
What are the key properties of N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide?
N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclopentyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138686955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).