N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide

C31H34N10O4 — CID 174202102

About N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide

N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide (PubChem CID 174202102) has the molecular formula C31H34N10O4 and a molecular weight of 610.68 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide
• PubChem CID: 174202102
• Molecular Formula: C31H34N10O4
• Molecular Weight: 610.68 g/mol
• Exact Mass: 610.28
• IUPAC Name: N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide
• SMILES: Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4ncc(C(=O)NC5CC5)o4)C3)cccc12
• InChI: InChI=1S/C31H34N10O4/c1-17-12-33-30(37-25-11-18(2)40(3)39-25)38-27(17)22-13-32-28-21(22)5-4-6-23(28)36-26(42)16-41-10-9-20(15-41)44-31-34-14-24(45-31)29(43)35-19-7-8-19/h4-6,11-14,19-20,32H,7-10,15-16H2,1-3H3,(H,35,43)(H,36,42)(H,33,37,38,39)
• InChIKey: WZWFXQDLXFPSKT-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 168.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.68
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide?

The IUPAC name of N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide (CID 174202102) is N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4ncc(C(=O)NC5CC5)o4)C3)cccc12.

What is the InChIKey of N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide?

The InChIKey is WZWFXQDLXFPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N10O4/c1-17-12-33-30(37-25-11-18(2)40(3)39-25)38-27(17)22-13-32-28-21(22)5-4-6-23(28)36-26(42)16-41-10-9-20(15-41)44-31-34-14-24(45-31)29(43)35-19-7-8-19/h4-6,11-14,19-20,32H,7-10,15-16H2,1-3H3,(H,35,43)(H,36,42)(H,33,37,38,39).

What are the key properties of N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide?

N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide has a molecular weight of 610.68 g/mol, XLogP of 3.69, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[1-[2-[[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]oxy-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 174202102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).