2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide

C22H25N5O2 — CID 87362352

IUPAC2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
SMILESCCN1CCCCC1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C22H25N5O2/c1-2-26-13-4-3-8-19(26)22(29)24-16-9-11-17(12-10-16)27-14-15-6-5-7-18(21(23)28)20(15)25-27/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H2,23,28)(H,24,29)
InChIKeyYVVHLTVQKNQSNI-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide

2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide (PubChem CID 87362352) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
PubChem CID87362352
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
SMILESCCN1CCCCC1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C22H25N5O2/c1-2-26-13-4-3-8-19(26)22(29)24-16-9-11-17(12-10-16)27-14-15-6-5-7-18(21(23)28)20(15)25-27/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H2,23,28)(H,24,29)
InChIKeyYVVHLTVQKNQSNI-UHFFFAOYSA-N
XLogP2.94
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
CID 46226329
2-[4-[[(3R)-1-methylpyrrolidin-1-ium-3-carbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87363458
2-[4-[[(2R)-pyrrolidin-1-ium-2-carbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87362242
2-[4-[[(1S,3S)-3-aminocyclopentanecarbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171931596
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928955
2-[4-[(2-amino-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizine-5-carbonyl)amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171929399
N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
CID 47074748
[3-[[4-(7-carbamoylindazol-2-yl)phenyl]carbamoyl]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl] 2,2,2-trifluoroacetate
CID 67339570
N-(4-pyrazol-1-ylphenyl)-1-(quinolin-8-ylmethyl)piperidine-2-carboxamide
CID 24819180
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-[(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]indazole-7-carboxamide
CID 87362190

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide (CID 87362352) is 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide is CCN1CCCCC1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide?
The InChIKey is YVVHLTVQKNQSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-2-26-13-4-3-8-19(26)22(29)24-16-9-11-17(12-10-16)27-14-15-6-5-7-18(21(23)28)20(15)25-27/h5-7,9-12,14,19H,2-4,8,13H2,1H3,(H2,23,28)(H,24,29).
What are the key properties of 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide?
2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 87362352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).