N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C27H28FN5O — CID 70652288

IUPACN-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCc1cccc(F)c1CN1CCCCC(NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1
InChIInChI=1S/C27H28FN5O/c1-18-5-4-7-24(28)23(18)17-33-14-3-2-6-21(16-33)30-27(34)20-8-9-25-22(15-20)26(32-31-25)19-10-12-29-13-11-19/h4-5,7-13,15,21H,2-3,6,14,16-17H2,1H3,(H,30,34)(H,31,32)
InChIKeyOFXYILMUTIQIRE-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 70652288) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID70652288
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC NameN-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESCc1cccc(F)c1CN1CCCCC(NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1
InChIInChI=1S/C27H28FN5O/c1-18-5-4-7-24(28)23(18)17-33-14-3-2-6-21(16-33)30-27(34)20-8-9-25-22(15-20)26(32-31-25)19-10-12-29-13-11-19/h4-5,7-13,15,21H,2-3,6,14,16-17H2,1H3,(H,30,34)(H,31,32)
InChIKeyOFXYILMUTIQIRE-UHFFFAOYSA-N
XLogP4.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-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

Related Compounds

N-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 163429179
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591375
3-(1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 70652885
N-[(3R)-1-[1-(2,6-difluorophenyl)-2-(dimethylamino)-2-oxoethyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652586
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652372
5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 86695577
N-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123840975
3-(1-benzothiophen-5-yl)-N-[(3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591396
N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652274
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-hydroxypiperidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123290123
methyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652345
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591380

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 70652288) is N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is Cc1cccc(F)c1CN1CCCCC(NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1.
What is the InChIKey of N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is OFXYILMUTIQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-18-5-4-7-24(28)23(18)17-33-14-3-2-6-21(16-33)30-27(34)20-8-9-25-22(15-20)26(32-31-25)19-10-12-29-13-11-19/h4-5,7-13,15,21H,2-3,6,14,16-17H2,1H3,(H,30,34)(H,31,32).
What are the key properties of N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).