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

C18H17F2N5O4S — CID 164573518

IUPAC(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
SMILESCn1ccc(NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(C(F)F)cc3cn[nH]c23)cc1=O
InChIInChI=1S/C18H17F2N5O4S/c1-24-4-2-12(8-15(24)26)22-18(27)13-3-5-25(13)30(28,29)14-7-10(17(19)20)6-11-9-21-23-16(11)14/h2,4,6-9,13,17H,3,5H2,1H3,(H,21,23)(H,22,27)/t13-/m0/s1
InChIKeyCRCCGNYEXOHXPE-ZDUSSCGKSA-N
MW437.43 g/mol
LogP1.60
Rot. Bonds5

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

(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide (PubChem CID 164573518) has the molecular formula C18H17F2N5O4S and a molecular weight of 437.43 g/mol. Its IUPAC name is (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
PubChem CID164573518
Molecular FormulaC18H17F2N5O4S
Molecular Weight437.43 g/mol
Exact Mass437.10
IUPAC Name(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide
SMILESCn1ccc(NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(C(F)F)cc3cn[nH]c23)cc1=O
InChIInChI=1S/C18H17F2N5O4S/c1-24-4-2-12(8-15(24)26)22-18(27)13-3-5-25(13)30(28,29)14-7-10(17(19)20)6-11-9-21-23-16(11)14/h2,4,6-9,13,17H,3,5H2,1H3,(H,21,23)(H,22,27)/t13-/m0/s1
InChIKeyCRCCGNYEXOHXPE-ZDUSSCGKSA-N
XLogP1.60
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The IUPAC name of (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide (CID 164573518) is (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide is Cn1ccc(NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(C(F)F)cc3cn[nH]c23)cc1=O.
What is the InChIKey of (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
The InChIKey is CRCCGNYEXOHXPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17F2N5O4S/c1-24-4-2-12(8-15(24)26)22-18(27)13-3-5-25(13)30(28,29)14-7-10(17(19)20)6-11-9-21-23-16(11)14/h2,4,6-9,13,17H,3,5H2,1H3,(H,21,23)(H,22,27)/t13-/m0/s1.
What are the key properties of (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide?
(2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl]-N-(1-methyl-2-oxo-4-pyridinyl)azetidine-2-carboxamide is sourced from PubChem (CID 164573518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).