4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide

C20H23N5O2 — CID 125440072

IUPAC4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1)C(=O)NC
InChIInChI=1S/C20H23N5O2/c1-3-4-17(20(27)22-2)23-19(26)13-7-5-12(6-8-13)14-9-10-16-15(11-14)18(21)25-24-16/h5-11,17H,3-4H2,1-2H3,(H,22,27)(H,23,26)(H3,21,24,25)/t17-/m1/s1
InChIKeyVGVIFSWRCGTWHW-QGZVFWFLSA-N
MW365.44 g/mol
LogP2.46
Rot. Bonds6

About 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide

4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 125440072) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID125440072
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1)C(=O)NC
InChIInChI=1S/C20H23N5O2/c1-3-4-17(20(27)22-2)23-19(26)13-7-5-12(6-8-13)14-9-10-16-15(11-14)18(21)25-24-16/h5-11,17H,3-4H2,1-2H3,(H,22,27)(H,23,26)(H3,21,24,25)/t17-/m1/s1
InChIKeyVGVIFSWRCGTWHW-QGZVFWFLSA-N
XLogP2.46
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide with MolForge

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Related Compounds

N-[1-(methylamino)-1-oxopentan-2-yl]-4-(4,5,6-trimethyl-2-pyridinyl)benzamide
CID 122564033
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-phenylbenzamide
CID 11574190
4-(3-amino-1H-indazol-6-yl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]benzamide
CID 155540971
ethyl 2-[[4-[4-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]phenyl]benzoyl]amino]-3-sulfanylpropanoate
CID 58451974
5-[4-(dimethylamino)phenyl]-1H-indazol-3-amine
CID 11637416
3-[4-(3-amino-1H-indazol-5-yl)pyrazol-1-yl]butanoic acid
CID 68797274
N-[(3R)-1-(methylamino)-1-oxohexan-3-yl]-4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)benzamide
CID 166428138
1-[4-[3-(3-amino-1H-indazol-5-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 122566998
[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 122556465

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 125440072) is 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide is CCC[C@@H](NC(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1)C(=O)NC.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is VGVIFSWRCGTWHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-4-17(20(27)22-2)23-19(26)13-7-5-12(6-8-13)14-9-10-16-15(11-14)18(21)25-24-16/h5-11,17H,3-4H2,1-2H3,(H,22,27)(H,23,26)(H3,21,24,25)/t17-/m1/s1.
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide?
4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 365.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 125440072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).