N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C30H29FN6O2 — CID 89450887

About N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450887) has the molecular formula C30H29FN6O2 and a molecular weight of 524.60 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450887
• Molecular Formula: C30H29FN6O2
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.23
• IUPAC Name: N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(NC1=CN=C(c2cccc(F)c2)CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
• InChI: InChI=1S/C30H29FN6O2/c31-23-3-1-2-21(13-23)27-7-5-24(17-33-27)34-30(39)29-26-14-20(4-6-28(26)35-36-29)22-12-19(15-32-16-22)18-37-10-8-25(38)9-11-37/h1-4,6,12-17,25,38H,5,7-11,18H2,(H,34,39)(H,35,36)
• InChIKey: SUWKPAQGLJZGMR-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 106.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450887) is N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1=CN=C(c2cccc(F)c2)CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.

What is the InChIKey of N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is SUWKPAQGLJZGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O2/c31-23-3-1-2-21(13-23)27-7-5-24(17-33-27)34-30(39)29-26-14-20(4-6-28(26)35-36-29)22-12-19(15-32-16-22)18-37-10-8-25(38)9-11-37/h1-4,6,12-17,25,38H,5,7-11,18H2,(H,34,39)(H,35,36).

What are the key properties of N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 524.60 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-fluorophenyl)-3,4-dihydropyridin-5-yl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).