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

C27H28FN5O — CID 56591375

IUPAC3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C27H28FN5O/c1-2-21-14-18(11-12-29-21)26-23-15-19(9-10-25(23)31-32-26)27(34)30-22-7-5-13-33(17-22)16-20-6-3-4-8-24(20)28/h3-4,6,8-12,14-15,22H,2,5,7,13,16-17H2,1H3,(H,30,34)(H,31,32)/t22-/m1/s1
InChIKeyKNTCUAGFDQLPNM-JOCHJYFZSA-N
MW457.55 g/mol
LogP4.72
Rot. Bonds6

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

3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 56591375) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID56591375
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC Name3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
SMILESCCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)ccn1
InChIInChI=1S/C27H28FN5O/c1-2-21-14-18(11-12-29-21)26-23-15-19(9-10-25(23)31-32-26)27(34)30-22-7-5-13-33(17-22)16-20-6-3-4-8-24(20)28/h3-4,6,8-12,14-15,22H,2,5,7,13,16-17H2,1H3,(H,30,34)(H,31,32)/t22-/m1/s1
InChIKeyKNTCUAGFDQLPNM-JOCHJYFZSA-N
XLogP4.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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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
N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652288
N-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123840975
3-(1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 70652885
N-[1-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-3-yl]-3-(1-methyl-6-oxo-3-pyridinyl)-1H-indazole-5-carboxamide
CID 123935196
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-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
3-(1-benzothiophen-5-yl)-N-[(3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591396
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
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
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide (CID 56591375) is 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is CCc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc23)ccn1.
What is the InChIKey of 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is KNTCUAGFDQLPNM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-2-21-14-18(11-12-29-21)26-23-15-19(9-10-25(23)31-32-26)27(34)30-22-7-5-13-33(17-22)16-20-6-3-4-8-24(20)28/h3-4,6,8-12,14-15,22H,2,5,7,13,16-17H2,1H3,(H,30,34)(H,31,32)/t22-/m1/s1.
What are the key properties of 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide?
3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-pyridinyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 56591375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).