N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

C24H28FN5O — CID 124997676

About N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 124997676) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
• PubChem CID: 124997676
• Molecular Formula: C24H28FN5O
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.23
• IUPAC Name: N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
• SMILES: O=C(NCCn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21)C1CC1
• InChI: InChI=1S/C24H28FN5O/c25-21-8-2-1-5-18(21)15-29-13-4-6-19(16-29)22-20-7-3-11-26-23(20)30(28-22)14-12-27-24(31)17-9-10-17/h1-3,5,7-8,11,17,19H,4,6,9-10,12-16H2,(H,27,31)/t19-/m0/s1
• InChIKey: RCBGQMXKHKOPFI-IBGZPJMESA-N
• XLogP: 3.48
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (CID 124997676) is N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is O=C(NCCn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21)C1CC1.

What is the InChIKey of N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The InChIKey is RCBGQMXKHKOPFI-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28FN5O/c25-21-8-2-1-5-18(21)15-29-13-4-6-19(16-29)22-20-7-3-11-26-23(20)30(28-22)14-12-27-24(31)17-9-10-17/h1-3,5,7-8,11,17,19H,4,6,9-10,12-16H2,(H,27,31)/t19-/m0/s1.

What are the key properties of N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 124997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).