2-(cyclopropylamino)-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]piperazin-1-yl]ethanone

C27H34N8O — CID 138686239

IUPAC2-(cyclopropylamino)-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]piperazin-1-yl]ethanone
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CNC5CC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H34N8O/c1-16(2)24-25(20-14-35-27(29-15-30-35)18(4)17(20)3)31-21-7-8-22(32-26(21)24)33-9-11-34(12-10-33)23(36)13-28-19-5-6-19/h7-8,14-16,19,28,31H,5-6,9-13H2,1-4H3
InChIKeySNWSDSUZCXUZQW-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.41
Rot. Bonds6

About 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone

2-(cyclopropylamino)-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]piperazin-1-yl]ethanone (PubChem CID 138686239) has the molecular formula C27H34N8O and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-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]piperazin-1-yl]ethanone
PubChem CID138686239
Molecular FormulaC27H34N8O
Molecular Weight486.62 g/mol
Exact Mass486.29
IUPAC Name2-(cyclopropylamino)-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]piperazin-1-yl]ethanone
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CNC5CC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H34N8O/c1-16(2)24-25(20-14-35-27(29-15-30-35)18(4)17(20)3)31-21-7-8-22(32-26(21)24)33-9-11-34(12-10-33)23(36)13-28-19-5-6-19/h7-8,14-16,19,28,31H,5-6,9-13H2,1-4H3
InChIKeySNWSDSUZCXUZQW-UHFFFAOYSA-N
XLogP3.41
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone (CID 138686239) is 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone is Cc1c(-c2[nH]c3ccc(N4CCN(C(=O)CNC5CC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone?
The InChIKey is SNWSDSUZCXUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O/c1-16(2)24-25(20-14-35-27(29-15-30-35)18(4)17(20)3)31-21-7-8-22(32-26(21)24)33-9-11-34(12-10-33)23(36)13-28-19-5-6-19/h7-8,14-16,19,28,31H,5-6,9-13H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone?
2-(cyclopropylamino)-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]piperazin-1-yl]ethanone has a molecular weight of 486.62 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-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]piperazin-1-yl]ethanone is sourced from PubChem (CID 138686239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).