1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one

C27H33N7O — CID 138686516

IUPAC1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33N7O/c1-16(2)23-24(19-13-17(3)26-28-15-29-34(26)14-19)31-21-6-5-20(30-25(21)23)18-7-11-33(12-8-18)22-9-10-32(4)27(22)35/h5-6,13-16,18,22,31H,7-12H2,1-4H3
InChIKeyAGHCTQKMENZLTF-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.11
Rot. Bonds4

About 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one

1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one (PubChem CID 138686516) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one
PubChem CID138686516
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H33N7O/c1-16(2)23-24(19-13-17(3)26-28-15-29-34(26)14-19)31-21-6-5-20(30-25(21)23)18-7-11-33(12-8-18)22-9-10-32(4)27(22)35/h5-6,13-16,18,22,31H,7-12H2,1-4H3
InChIKeyAGHCTQKMENZLTF-UHFFFAOYSA-N
XLogP4.11
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one (CID 138686516) is 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C5CCN(C)C5=O)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one?
The InChIKey is AGHCTQKMENZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-16(2)23-24(19-13-17(3)26-28-15-29-34(26)14-19)31-21-6-5-20(30-25(21)23)18-7-11-33(12-8-18)22-9-10-32(4)27(22)35/h5-6,13-16,18,22,31H,7-12H2,1-4H3.
What are the key properties of 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one?
1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one has a molecular weight of 471.61 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[2-(8-methyl-[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]pyrrolidin-2-one is sourced from PubChem (CID 138686516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).