ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate

C33H39FN4O4 — CID 156829344

About ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 156829344) has the molecular formula C33H39FN4O4 and a molecular weight of 574.70 g/mol. Its IUPAC name is ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
• PubChem CID: 156829344
• Molecular Formula: C33H39FN4O4
• Molecular Weight: 574.70 g/mol
• Exact Mass: 574.30
• IUPAC Name: ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
• SMILES: CCOC(=O)c1ccc2c(C)c(-c3cc4cc(F)cc(C5CCN(C(=O)OC(C)(C)C)CC5)c4n3CC3CC3)nn2c1
• InChI: InChI=1S/C33H39FN4O4/c1-6-41-31(39)23-9-10-27-20(2)29(35-38(27)19-23)28-16-24-15-25(34)17-26(30(24)37(28)18-21-7-8-21)22-11-13-36(14-12-22)32(40)42-33(3,4)5/h9-10,15-17,19,21-22H,6-8,11-14,18H2,1-5H3
• InChIKey: FQSCBNMQQOUHER-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 78.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.70
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?

The IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (CID 156829344) is ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.

What is the SMILES notation for ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?

The canonical SMILES for ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2c(C)c(-c3cc4cc(F)cc(C5CCN(C(=O)OC(C)(C)C)CC5)c4n3CC3CC3)nn2c1.

What is the InChIKey of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?

The InChIKey is FQSCBNMQQOUHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN4O4/c1-6-41-31(39)23-9-10-27-20(2)29(35-38(27)19-23)28-16-24-15-25(34)17-26(30(24)37(28)18-21-7-8-21)22-11-13-36(14-12-22)32(40)42-33(3,4)5/h9-10,15-17,19,21-22H,6-8,11-14,18H2,1-5H3.

What are the key properties of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?

ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 574.70 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 156829344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).