1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone

C18H19N5O — CID 146316011

IUPAC1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](n2c(C)nc3ccc(-c4ccncc4)nc32)C1
InChIInChI=1S/C18H19N5O/c1-12-20-17-4-3-16(14-5-8-19-9-6-14)21-18(17)23(12)15-7-10-22(11-15)13(2)24/h3-6,8-9,15H,7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyZPRKWWRJZRMULN-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.60
Rot. Bonds2

About 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone

1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 146316011) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID146316011
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@H](n2c(C)nc3ccc(-c4ccncc4)nc32)C1
InChIInChI=1S/C18H19N5O/c1-12-20-17-4-3-16(14-5-8-19-9-6-14)21-18(17)23(12)15-7-10-22(11-15)13(2)24/h3-6,8-9,15H,7,10-11H2,1-2H3/t15-/m0/s1
InChIKeyZPRKWWRJZRMULN-HNNXBMFYSA-N
XLogP2.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone (CID 146316011) is 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@H](n2c(C)nc3ccc(-c4ccncc4)nc32)C1.
What is the InChIKey of 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZPRKWWRJZRMULN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-20-17-4-3-16(14-5-8-19-9-6-14)21-18(17)23(12)15-7-10-22(11-15)13(2)24/h3-6,8-9,15H,7,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 146316011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).