[(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C34H47N7O6 — CID 129195407

About [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

[(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 129195407) has the molecular formula C34H47N7O6 and a molecular weight of 649.79 g/mol. Its IUPAC name is [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 129195407
• Molecular Formula: C34H47N7O6
• Molecular Weight: 649.79 g/mol
• Exact Mass: 649.36
• IUPAC Name: [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
• SMILES: COc1ccc2c(OC3C[C@@H](C(N)=O)N(C(=O)[C@@H](NC(=O)O[C@@H]4CC[C@@H](C)C4)C(C)(C)C)C3)cc(-n3ccc(NC(C)C)n3)nc2c1
• InChI: InChI=1S/C34H47N7O6/c1-19(2)36-28-12-13-41(39-28)29-17-27(24-11-10-21(45-7)15-25(24)37-29)46-23-16-26(31(35)42)40(18-23)32(43)30(34(4,5)6)38-33(44)47-22-9-8-20(3)14-22/h10-13,15,17,19-20,22-23,26,30H,8-9,14,16,18H2,1-7H3,(H2,35,42)(H,36,39)(H,38,44)/t20-,22-,23?,26+,30-/m1/s1
• InChIKey: QTWOPWNQVFFBJR-MYLVYVBBSA-N
• XLogP: 4.41
• TPSA: 162.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.79
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 129195407) is [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is COc1ccc2c(OC3C[C@@H](C(N)=O)N(C(=O)[C@@H](NC(=O)O[C@@H]4CC[C@@H](C)C4)C(C)(C)C)C3)cc(-n3ccc(NC(C)C)n3)nc2c1.

What is the InChIKey of [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

The InChIKey is QTWOPWNQVFFBJR-MYLVYVBBSA-N. The full InChI is InChI=1S/C34H47N7O6/c1-19(2)36-28-12-13-41(39-28)29-17-27(24-11-10-21(45-7)15-25(24)37-29)46-23-16-26(31(35)42)40(18-23)32(43)30(34(4,5)6)38-33(44)47-22-9-8-20(3)14-22/h10-13,15,17,19-20,22-23,26,30H,8-9,14,16,18H2,1-7H3,(H2,35,42)(H,36,39)(H,38,44)/t20-,22-,23?,26+,30-/m1/s1.

What are the key properties of [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?

[(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 649.79 g/mol, XLogP of 4.41, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R)-3-methylcyclopentyl] N-[(2S)-1-[(2S)-2-carbamoyl-4-[7-methoxy-2-[3-(propan-2-ylamino)pyrazol-1-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 129195407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).