1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide

C21H19N5O3S — CID 171395425

IUPAC1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC2C(=O)Nc2ccc3cccnc3c2)c2[nH]ncc2c1
InChIInChI=1S/C21H19N5O3S/c1-13-9-15-12-23-25-20(15)19(10-13)30(28,29)26-8-6-18(26)21(27)24-16-5-4-14-3-2-7-22-17(14)11-16/h2-5,7,9-12,18H,6,8H2,1H3,(H,23,25)(H,24,27)
InChIKeyOOOXMTDCTUDBLE-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.82
Rot. Bonds4

About 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide

1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide (PubChem CID 171395425) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide
PubChem CID171395425
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC2C(=O)Nc2ccc3cccnc3c2)c2[nH]ncc2c1
InChIInChI=1S/C21H19N5O3S/c1-13-9-15-12-23-25-20(15)19(10-13)30(28,29)26-8-6-18(26)21(27)24-16-5-4-14-3-2-7-22-17(14)11-16/h2-5,7,9-12,18H,6,8H2,1H3,(H,23,25)(H,24,27)
InChIKeyOOOXMTDCTUDBLE-UHFFFAOYSA-N
XLogP2.82
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-isoquinolin-7-yl-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171442846
N-(3-chloro-4-cyanophenyl)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171395599
(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
CID 171442826
2-[methyl-[(5-methyl-1H-indazol-7-yl)sulfonyl]amino]-N-quinolin-7-ylacetamide
CID 171395555
(2S)-N-but-2-ynyl-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171442835
(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-[4-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]azetidine-2-carboxamide
CID 171442869
(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]azetidine-2-carboxylic acid
CID 164573728
(2S)-1-(4-methylphenyl)sulfonyl-N-quinolin-3-ylpiperidine-2-carboxamide
CID 25353300
1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-[4-(oxetan-3-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]piperidine-3-carboxamide
CID 164573603
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
1-(5-bromothiophen-2-yl)sulfonyl-N-(1H-indazol-6-yl)piperidine-2-carboxamide
CID 166188077

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide?
The IUPAC name of 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide (CID 171395425) is 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide.
What is the SMILES notation for 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide?
The canonical SMILES for 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide is Cc1cc(S(=O)(=O)N2CCC2C(=O)Nc2ccc3cccnc3c2)c2[nH]ncc2c1.
What is the InChIKey of 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide?
The InChIKey is OOOXMTDCTUDBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-13-9-15-12-23-25-20(15)19(10-13)30(28,29)26-8-6-18(26)21(27)24-16-5-4-14-3-2-7-22-17(14)11-16/h2-5,7,9-12,18H,6,8H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide?
1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide is sourced from PubChem (CID 171395425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).