(5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone

C22H22N6OS — CID 95835838

About (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone

(5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 95835838) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
• PubChem CID: 95835838
• Molecular Formula: C22H22N6OS
• Molecular Weight: 418.53 g/mol
• Exact Mass: 418.16
• IUPAC Name: (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3cccc(Nc4nc(C)cs4)n3)c2c1
• InChI: InChI=1S/C22H22N6OS/c1-13-8-9-16-15(11-13)20(27-26-16)21(29)28-10-4-6-18(28)17-5-3-7-19(24-17)25-22-23-14(2)12-30-22/h3,5,7-9,11-12,18H,4,6,10H2,1-2H3,(H,26,27)(H,23,24,25)/t18-/m1/s1
• InChIKey: YVILCTCTHFTNBA-GOSISDBHSA-N
• XLogP: 4.75
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.53
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 95835838) is (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3cccc(Nc4nc(C)cs4)n3)c2c1.

What is the InChIKey of (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?

The InChIKey is YVILCTCTHFTNBA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-13-8-9-16-15(11-13)20(27-26-16)21(29)28-10-4-6-18(28)17-5-3-7-19(24-17)25-22-23-14(2)12-30-22/h3,5,7-9,11-12,18H,4,6,10H2,1-2H3,(H,26,27)(H,23,24,25)/t18-/m1/s1.

What are the key properties of (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone?

(5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 418.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1H-indazol-3-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95835838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).