(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

C20H23N5O — CID 97429441

About (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone

(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 97429441) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 97429441
• Molecular Formula: C20H23N5O
• Molecular Weight: 349.44 g/mol
• Exact Mass: 349.19
• IUPAC Name: (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC[C@H](c3nc4ccncc4n3C(C)C)C2)cn1
• InChI: InChI=1S/C20H23N5O/c1-13(2)25-18-11-21-8-6-17(18)23-19(25)16-7-9-24(12-16)20(26)15-5-4-14(3)22-10-15/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3/t16-/m0/s1
• InChIKey: ZWJYNAXIRFCLAI-INIZCTEOSA-N
• XLogP: 3.35
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.44
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone (CID 97429441) is (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CC[C@H](c3nc4ccncc4n3C(C)C)C2)cn1.

What is the InChIKey of (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is ZWJYNAXIRFCLAI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)25-18-11-21-8-6-17(18)23-19(25)16-7-9-24(12-16)20(26)15-5-4-14(3)22-10-15/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3/t16-/m0/s1.

What are the key properties of (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone?

(6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridinyl)-[(3S)-3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97429441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).