3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one

C28H35N7O — CID 138686674

IUPAC3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCc1c(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H35N7O/c1-16(2)24-25(20-14-35-27(29-15-30-35)18(4)17(20)3)32-22-7-6-21(31-26(22)24)19-8-12-34(13-9-19)23-10-11-33(5)28(23)36/h6-7,14-16,19,23,32H,8-13H2,1-5H3
InChIKeyOHNWPLYQMDZPHB-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.42
Rot. Bonds4

About 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one

3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 138686674) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one
PubChem CID138686674
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one
SMILESCc1c(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H35N7O/c1-16(2)24-25(20-14-35-27(29-15-30-35)18(4)17(20)3)32-22-7-6-21(31-26(22)24)19-8-12-34(13-9-19)23-10-11-33(5)28(23)36/h6-7,14-16,19,23,32H,8-13H2,1-5H3
InChIKeyOHNWPLYQMDZPHB-UHFFFAOYSA-N
XLogP4.42
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one (CID 138686674) is 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one is Cc1c(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is OHNWPLYQMDZPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-16(2)24-25(20-14-35-27(29-15-30-35)18(4)17(20)3)32-22-7-6-21(31-26(22)24)19-8-12-34(13-9-19)23-10-11-33(5)28(23)36/h6-7,14-16,19,23,32H,8-13H2,1-5H3.
What are the key properties of 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one?
3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 485.64 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[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]piperidin-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 138686674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).