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

C27H35N7O2 — CID 138686222

IUPAC2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)NC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H35N7O2/c1-15(2)22-24(18-12-21(36-6)26-28-14-29-34(26)13-18)31-20-11-17(5)23(32-25(20)22)27(35)30-19-7-9-33(10-8-19)16(3)4/h11-16,19,31H,7-10H2,1-6H3,(H,30,35)
InChIKeyHLEOUNSTTCSYRW-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.32
Rot. Bonds6

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

2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 138686222) has the molecular formula C27H35N7O2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID138686222
Molecular FormulaC27H35N7O2
Molecular Weight489.62 g/mol
Exact Mass489.29
IUPAC Name2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)NC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H35N7O2/c1-15(2)22-24(18-12-21(36-6)26-28-14-29-34(26)13-18)31-20-11-17(5)23(32-25(20)22)27(35)30-19-7-9-33(10-8-19)16(3)4/h11-16,19,31H,7-10H2,1-6H3,(H,30,35)
InChIKeyHLEOUNSTTCSYRW-UHFFFAOYSA-N
XLogP4.32
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 138686222) is 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is COc1cc(-c2[nH]c3cc(C)c(C(=O)NC4CCN(C(C)C)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is HLEOUNSTTCSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2/c1-15(2)22-24(18-12-21(36-6)26-28-14-29-34(26)13-18)31-20-11-17(5)23(32-25(20)22)27(35)30-19-7-9-33(10-8-19)16(3)4/h11-16,19,31H,7-10H2,1-6H3,(H,30,35).
What are the key properties of 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-methyl-3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 138686222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).