N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide

C20H23N5O2 — CID 143855936

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccccn2)c2ccccc12)C(N)=O
InChIInChI=1S/C20H23N5O2/c1-20(2,3)17(18(21)26)23-19(27)16-14-9-4-5-10-15(14)25(24-16)12-13-8-6-7-11-22-13/h4-11,17H,12H2,1-3H3,(H2,21,26)(H,23,27)
InChIKeyJTMVWNKBEQLMEU-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.11
Rot. Bonds5

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide (PubChem CID 143855936) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide
PubChem CID143855936
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1nn(Cc2ccccn2)c2ccccc12)C(N)=O
InChIInChI=1S/C20H23N5O2/c1-20(2,3)17(18(21)26)23-19(27)16-14-9-4-5-10-15(14)25(24-16)12-13-8-6-7-11-22-13/h4-11,17H,12H2,1-3H3,(H2,21,26)(H,23,27)
InChIKeyJTMVWNKBEQLMEU-UHFFFAOYSA-N
XLogP2.11
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 58124727
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-hydroxypentyl)indazole-3-carboxamide
CID 132988664
4-[3-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]indazol-1-yl]butanoic acid
CID 165361556
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
CID 172871875
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[[(2R)-5-oxooxolan-2-yl]methyl]indazole-3-carboxamide
CID 143855367
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 58124712
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-chloro-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 70969110
N-[1-[(2-amino-2-oxoethyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124519
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-benzyl-5-pyridin-3-ylindazole-3-carboxamide
CID 70969181
N-[(2S)-1-(4-carbamoylpiperazin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124698
1-(5-amino-5-oxopentyl)-N-[1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide
CID 70969741
2-[[2-[[1-[(3-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]acetic acid
CID 58124548

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide (CID 143855936) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide is CC(C)(C)C(NC(=O)c1nn(Cc2ccccn2)c2ccccc12)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide?
The InChIKey is JTMVWNKBEQLMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,3)17(18(21)26)23-19(27)16-14-9-4-5-10-15(14)25(24-16)12-13-8-6-7-11-22-13/h4-11,17H,12H2,1-3H3,(H2,21,26)(H,23,27).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(pyridin-2-ylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 143855936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).