1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one

C23H30N4O — CID 138686638

IUPAC1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
SMILESCc1c(-c2[nH]c3ccc(C4CCNCC4)nc3c2C(C)C)cn(C)c(=O)c1C
InChIInChI=1S/C23H30N4O/c1-13(2)20-21(17-12-27(5)23(28)15(4)14(17)3)26-19-7-6-18(25-22(19)20)16-8-10-24-11-9-16/h6-7,12-13,16,24,26H,8-11H2,1-5H3
InChIKeyWYWBBCYDDSVZAK-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.14
Rot. Bonds3

About 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one

1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one (PubChem CID 138686638) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
PubChem CID138686638
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one
SMILESCc1c(-c2[nH]c3ccc(C4CCNCC4)nc3c2C(C)C)cn(C)c(=O)c1C
InChIInChI=1S/C23H30N4O/c1-13(2)20-21(17-12-27(5)23(28)15(4)14(17)3)26-19-7-6-18(25-22(19)20)16-8-10-24-11-9-16/h6-7,12-13,16,24,26H,8-11H2,1-5H3
InChIKeyWYWBBCYDDSVZAK-UHFFFAOYSA-N
XLogP4.14
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
The IUPAC name of 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one (CID 138686638) is 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one.
What is the SMILES notation for 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
The canonical SMILES for 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one is Cc1c(-c2[nH]c3ccc(C4CCNCC4)nc3c2C(C)C)cn(C)c(=O)c1C.
What is the InChIKey of 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
The InChIKey is WYWBBCYDDSVZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-13(2)20-21(17-12-27(5)23(28)15(4)14(17)3)26-19-7-6-18(25-22(19)20)16-8-10-24-11-9-16/h6-7,12-13,16,24,26H,8-11H2,1-5H3.
What are the key properties of 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one?
1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)pyridin-2-one is sourced from PubChem (CID 138686638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).