3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one

C29H36ClN5O — CID 137464364

About 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one

3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one (PubChem CID 137464364) has the molecular formula C29H36ClN5O and a molecular weight of 506.09 g/mol. Its IUPAC name is 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one
• PubChem CID: 137464364
• Molecular Formula: C29H36ClN5O
• Molecular Weight: 506.09 g/mol
• Exact Mass: 505.26
• IUPAC Name: 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one
• SMILES: CC(C)c1c(-c2cc(Cl)c(=O)n(C)c2)[nH]c2ccc(C3CCN(Cc4cnn(C(C)C)c4)CC3)cc12
• InChI: InChI=1S/C29H36ClN5O/c1-18(2)27-24-12-22(6-7-26(24)32-28(27)23-13-25(30)29(36)33(5)17-23)21-8-10-34(11-9-21)15-20-14-31-35(16-20)19(3)4/h6-7,12-14,16-19,21,32H,8-11,15H2,1-5H3
• InChIKey: QLKXASJMYRFAJT-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 58.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.09
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one?

The IUPAC name of 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one (CID 137464364) is 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one.

What is the SMILES notation for 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one?

The canonical SMILES for 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one is CC(C)c1c(-c2cc(Cl)c(=O)n(C)c2)[nH]c2ccc(C3CCN(Cc4cnn(C(C)C)c4)CC3)cc12.

What is the InChIKey of 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one?

The InChIKey is QLKXASJMYRFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN5O/c1-18(2)27-24-12-22(6-7-26(24)32-28(27)23-13-25(30)29(36)33(5)17-23)21-8-10-34(11-9-21)15-20-14-31-35(16-20)19(3)4/h6-7,12-14,16-19,21,32H,8-11,15H2,1-5H3.

What are the key properties of 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one?

3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one has a molecular weight of 506.09 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-methyl-5-[3-propan-2-yl-5-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-indol-2-yl]pyridin-2-one is sourced from PubChem (CID 137464364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).