N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C26H26FN5O2 — CID 70652274

IUPACN-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NC1COCCN(CCc2cccc(F)c2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C26H26FN5O2/c27-21-3-1-2-18(14-21)8-11-32-12-13-34-17-22(16-32)29-26(33)20-4-5-24-23(15-20)25(31-30-24)19-6-9-28-10-7-19/h1-7,9-10,14-15,22H,8,11-13,16-17H2,(H,29,33)(H,30,31)
InChIKeyDNCSUFJPKLNWRI-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.44
Rot. Bonds6

About N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 70652274) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID70652274
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC NameN-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NC1COCCN(CCc2cccc(F)c2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C26H26FN5O2/c27-21-3-1-2-18(14-21)8-11-32-12-13-34-17-22(16-32)29-26(33)20-4-5-24-23(15-20)25(31-30-24)19-6-9-28-10-7-19/h1-7,9-10,14-15,22H,8,11-13,16-17H2,(H,29,33)(H,30,31)
InChIKeyDNCSUFJPKLNWRI-UHFFFAOYSA-N
XLogP3.44
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652288
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
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
N-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 163429179
4-[(2,3-difluorophenyl)methyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)morpholine-2-carboxamide
CID 56941943
N-[4-[2-(2,6-difluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;ethyl 1-benzyl-3-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]piperidine-4-carboxylate;2-[(3S)-1-[[2-fluoro-6-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-N-methyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;N-[4-[2-(2-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 161192020
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591375
5-fluoro-N-[1-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
CID 139640144
N-[(3R,6S)-6-(diethylcarbamoyl)-1-(2-phenylethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 70652202
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 69422030

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 70652274) is N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NC1COCCN(CCc2cccc(F)c2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is DNCSUFJPKLNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c27-21-3-1-2-18(14-21)8-11-32-12-13-34-17-22(16-32)29-26(33)20-4-5-24-23(15-20)25(31-30-24)19-6-9-28-10-7-19/h1-7,9-10,14-15,22H,8,11-13,16-17H2,(H,29,33)(H,30,31).
What are the key properties of N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluorophenyl)ethyl]-1,4-oxazepan-6-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 70652274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).