(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide

C19H21N5O4S — CID 171442826

IUPAC(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1
InChIInChI=1S/C19H21N5O4S/c1-12-8-13-11-20-22-18(13)16(9-12)29(27,28)24-6-3-4-15(24)19(26)21-14-5-7-23(2)17(25)10-14/h5,7-11,15H,3-4,6H2,1-2H3,(H,20,22)(H,21,26)/t15-/m0/s1
InChIKeyFKSAWHDKEYJIFU-HNNXBMFYSA-N
MW415.48 g/mol
LogP1.36
Rot. Bonds4

About (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 171442826) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID171442826
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1
InChIInChI=1S/C19H21N5O4S/c1-12-8-13-11-20-22-18(13)16(9-12)29(27,28)24-6-3-4-15(24)19(26)21-14-5-7-23(2)17(25)10-14/h5,7-11,15H,3-4,6H2,1-2H3,(H,20,22)(H,21,26)/t15-/m0/s1
InChIKeyFKSAWHDKEYJIFU-HNNXBMFYSA-N
XLogP1.36
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-quinolin-7-ylazetidine-2-carboxamide
CID 171395425
(2S)-N-but-2-ynyl-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]azetidine-2-carboxamide
CID 171442835
(2S)-1-[3-iodo-5-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
CID 164573848
1-[2-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonylindol-7-yl]sulfonyl-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
CID 174229839
(2S)-1-[2-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonylindol-7-yl]sulfonyl-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
CID 171442746
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
(2S)-1-(4-bromo-2-methylphenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 91970942
(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
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide (CID 171442826) is (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide is Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1.
What is the InChIKey of (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is FKSAWHDKEYJIFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-12-8-13-11-20-22-18(13)16(9-12)29(27,28)24-6-3-4-15(24)19(26)21-14-5-7-23(2)17(25)10-14/h5,7-11,15H,3-4,6H2,1-2H3,(H,20,22)(H,21,26)/t15-/m0/s1.
What are the key properties of (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 171442826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).