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

C18H19N5O4S — CID 164573872

IUPAC(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CC[C@H]2C(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1
InChIInChI=1S/C18H19N5O4S/c1-11-7-12-10-19-21-17(12)15(8-11)28(26,27)23-6-4-14(23)18(25)20-13-3-5-22(2)16(24)9-13/h3,5,7-10,14H,4,6H2,1-2H3,(H,19,21)(H,20,25)/t14-/m0/s1
InChIKeyHIRILVJBVFLPMQ-AWEZNQCLSA-N
MW401.45 g/mol
LogP0.97
Rot. Bonds4

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

(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide (PubChem CID 164573872) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
PubChem CID164573872
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
SMILESCc1cc(S(=O)(=O)N2CC[C@H]2C(=O)Nc2ccn(C)c(=O)c2)c2[nH]ncc2c1
InChIInChI=1S/C18H19N5O4S/c1-11-7-12-10-19-21-17(12)15(8-11)28(26,27)23-6-4-14(23)18(25)20-13-3-5-22(2)16(24)9-13/h3,5,7-10,14H,4,6H2,1-2H3,(H,19,21)(H,20,25)/t14-/m0/s1
InChIKeyHIRILVJBVFLPMQ-AWEZNQCLSA-N
XLogP0.97
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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)azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide (CID 164573872) is (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide is Cc1cc(S(=O)(=O)N2CC[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)azetidine-2-carboxamide?
The InChIKey is HIRILVJBVFLPMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-11-7-12-10-19-21-17(12)15(8-11)28(26,27)23-6-4-14(23)18(25)20-13-3-5-22(2)16(24)9-13/h3,5,7-10,14H,4,6H2,1-2H3,(H,19,21)(H,20,25)/t14-/m0/s1.
What are the key properties of (2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
(2S)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 0.97, 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)azetidine-2-carboxamide is sourced from PubChem (CID 164573872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).