(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide

C23H27N7O2 — CID 67123742

IUPAC(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](n2c(=O)n(C)c3ccc(-c4cnn5ccccc45)nc32)C1
InChIInChI=1S/C23H27N7O2/c1-15(2)25-22(31)28-11-6-7-16(14-28)30-21-20(27(3)23(30)32)10-9-18(26-21)17-13-24-29-12-5-4-8-19(17)29/h4-5,8-10,12-13,15-16H,6-7,11,14H2,1-3H3,(H,25,31)/t16-/m0/s1
InChIKeyVGJWLYYXKOVTRQ-INIZCTEOSA-N
MW433.52 g/mol
LogP2.80
Rot. Bonds3

About (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide

(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 67123742) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID67123742
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](n2c(=O)n(C)c3ccc(-c4cnn5ccccc45)nc32)C1
InChIInChI=1S/C23H27N7O2/c1-15(2)25-22(31)28-11-6-7-16(14-28)30-21-20(27(3)23(30)32)10-9-18(26-21)17-13-24-29-12-5-4-8-19(17)29/h4-5,8-10,12-13,15-16H,6-7,11,14H2,1-3H3,(H,25,31)/t16-/m0/s1
InChIKeyVGJWLYYXKOVTRQ-INIZCTEOSA-N
XLogP2.80
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide (CID 67123742) is (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@H](n2c(=O)n(C)c3ccc(-c4cnn5ccccc45)nc32)C1.
What is the InChIKey of (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is VGJWLYYXKOVTRQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15(2)25-22(31)28-11-6-7-16(14-28)30-21-20(27(3)23(30)32)10-9-18(26-21)17-13-24-29-12-5-4-8-19(17)29/h4-5,8-10,12-13,15-16H,6-7,11,14H2,1-3H3,(H,25,31)/t16-/m0/s1.
What are the key properties of (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide?
(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 67123742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).