N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

C29H35N9O3 — CID 174163570

About N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 174163570) has the molecular formula C29H35N9O3 and a molecular weight of 557.66 g/mol. Its IUPAC name is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
• PubChem CID: 174163570
• Molecular Formula: C29H35N9O3
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.29
• IUPAC Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
• SMILES: Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(C(=O)N4CCOCC4)C3)cccc12
• InChI: InChI=1S/C29H35N9O3/c1-18-14-31-29(33-24-13-19(2)36(3)35-24)34-26(18)22-15-30-27-21(22)5-4-6-23(27)32-25(39)17-37-8-7-20(16-37)28(40)38-9-11-41-12-10-38/h4-6,13-15,20,30H,7-12,16-17H2,1-3H3,(H,32,39)(H,31,33,34,35)
• InChIKey: HGVCUFLQLFWXOY-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 133.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?

The IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide (CID 174163570) is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(C(=O)N4CCOCC4)C3)cccc12.

What is the InChIKey of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?

The InChIKey is HGVCUFLQLFWXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O3/c1-18-14-31-29(33-24-13-19(2)36(3)35-24)34-26(18)22-15-30-27-21(22)5-4-6-23(27)32-25(39)17-37-8-7-20(16-37)28(40)38-9-11-41-12-10-38/h4-6,13-15,20,30H,7-12,16-17H2,1-3H3,(H,32,39)(H,31,33,34,35).

What are the key properties of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide?

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 557.66 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 174163570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).