tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate

C26H35FN4O3 — CID 130214480

About tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 130214480) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate
• PubChem CID: 130214480
• Molecular Formula: C26H35FN4O3
• Molecular Weight: 470.59 g/mol
• Exact Mass: 470.27
• IUPAC Name: tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate
• SMILES: Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C2
• InChI: InChI=1S/C26H35FN4O3/c1-18-22-11-13-29(17-23(22)31(28-18)16-19-7-9-21(27)10-8-19)24(32)14-20-6-5-12-30(15-20)25(33)34-26(2,3)4/h7-10,20H,5-6,11-17H2,1-4H3
• InChIKey: RNJRUKQSYIEBAK-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 67.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.59
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate (CID 130214480) is tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCN(C(=O)OC(C)(C)C)C1)C2.

What is the InChIKey of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?

The InChIKey is RNJRUKQSYIEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-18-22-11-13-29(17-23(22)31(28-18)16-19-7-9-21(27)10-8-19)24(32)14-20-6-5-12-30(15-20)25(33)34-26(2,3)4/h7-10,20H,5-6,11-17H2,1-4H3.

What are the key properties of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?

tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 470.59 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 130214480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).