N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C22H22N4O4S — CID 122462995

IUPACN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1
InChIInChI=1S/C22H22N4O4S/c27-21(16-6-7-16)24-19-14-26-18(2-1-3-20(26)23-19)15-4-8-17(9-5-15)22(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,14,16H,6-7,10-13H2,(H,24,27)
InChIKeyUIQSOQYNLBZYME-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.22
Rot. Bonds4

About N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 122462995) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID122462995
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1
InChIInChI=1S/C22H22N4O4S/c27-21(16-6-7-16)24-19-14-26-18(2-1-3-20(26)23-19)15-4-8-17(9-5-15)22(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,14,16H,6-7,10-13H2,(H,24,27)
InChIKeyUIQSOQYNLBZYME-UHFFFAOYSA-N
XLogP2.22
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 122462995) is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1.
What is the InChIKey of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UIQSOQYNLBZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c27-21(16-6-7-16)24-19-14-26-18(2-1-3-20(26)23-19)15-4-8-17(9-5-15)22(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,14,16H,6-7,10-13H2,(H,24,27).
What are the key properties of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 122462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).