N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide

C29H31FN4O2 — CID 70652255

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)cc1
InChIInChI=1S/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/m1/s1
InChIKeyCCSBRKICEAUMTP-HSZRJFAPSA-N
MW486.59 g/mol
LogP5.55
Rot. Bonds7

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide (PubChem CID 70652255) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide
PubChem CID70652255
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide
SMILESCC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)cc1
InChIInChI=1S/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/m1/s1
InChIKeyCCSBRKICEAUMTP-HSZRJFAPSA-N
XLogP5.55
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide (CID 70652255) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide is CC(C)Oc1ccc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)cc1.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
The InChIKey is CCSBRKICEAUMTP-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(4-propan-2-yloxyphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).