ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate

C33H34FN3O4 — CID 149411168

About ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate

ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate (PubChem CID 149411168) has the molecular formula C33H34FN3O4 and a molecular weight of 555.65 g/mol. Its IUPAC name is ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate
• PubChem CID: 149411168
• Molecular Formula: C33H34FN3O4
• Molecular Weight: 555.65 g/mol
• Exact Mass: 555.25
• IUPAC Name: ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1CC1c1ccc(-c2cc3c(OC)c(C(=O)N4CCc5ccccc5[C@H]4C)cc(CC)n3n2)c(F)c1
• InChI: InChI=1S/C33H34FN3O4/c1-5-22-16-27(32(38)36-14-13-20-9-7-8-10-23(20)19(36)3)31(40-4)30-18-29(35-37(22)30)24-12-11-21(15-28(24)34)25-17-26(25)33(39)41-6-2/h7-12,15-16,18-19,25-26H,5-6,13-14,17H2,1-4H3/t19-,25?,26?/m1/s1
• InChIKey: YRGZDXPZEDHZOG-ILPVEIHGSA-N
• XLogP: 6.14
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.65
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate (CID 149411168) is ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(-c2cc3c(OC)c(C(=O)N4CCc5ccccc5[C@H]4C)cc(CC)n3n2)c(F)c1.

What is the InChIKey of ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate?

The InChIKey is YRGZDXPZEDHZOG-ILPVEIHGSA-N. The full InChI is InChI=1S/C33H34FN3O4/c1-5-22-16-27(32(38)36-14-13-20-9-7-8-10-23(20)19(36)3)31(40-4)30-18-29(35-37(22)30)24-12-11-21(15-28(24)34)25-17-26(25)33(39)41-6-2/h7-12,15-16,18-19,25-26H,5-6,13-14,17H2,1-4H3/t19-,25?,26?/m1/s1.

What are the key properties of ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate?

ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate has a molecular weight of 555.65 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[7-ethyl-4-methoxy-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyridin-2-yl]-3-fluorophenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 149411168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).