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

C22H21FN4O4S — CID 155297584

IUPACN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3F)cccc2n1)C1CC1
InChIInChI=1S/C22H21FN4O4S/c23-17-12-15(22(29)26-8-10-32(30,31)11-9-26)6-7-16(17)18-2-1-3-20-24-19(13-27(18)20)25-21(28)14-4-5-14/h1-3,6-7,12-14H,4-5,8-11H2,(H,25,28)
InChIKeyKNFPOZGBFSBKBN-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.36
Rot. Bonds4

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

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 155297584) has the molecular formula C22H21FN4O4S and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID155297584
Molecular FormulaC22H21FN4O4S
Molecular Weight456.50 g/mol
Exact Mass456.13
IUPAC NameN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3F)cccc2n1)C1CC1
InChIInChI=1S/C22H21FN4O4S/c23-17-12-15(22(29)26-8-10-32(30,31)11-9-26)6-7-16(17)18-2-1-3-20-24-19(13-27(18)20)25-21(28)14-4-5-14/h1-3,6-7,12-14H,4-5,8-11H2,(H,25,28)
InChIKeyKNFPOZGBFSBKBN-UHFFFAOYSA-N
XLogP2.36
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.36
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)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 155297584) is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]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)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3F)cccc2n1)C1CC1.
What is the InChIKey of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KNFPOZGBFSBKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4S/c23-17-12-15(22(29)26-8-10-32(30,31)11-9-26)6-7-16(17)18-2-1-3-20-24-19(13-27(18)20)25-21(28)14-4-5-14/h1-3,6-7,12-14H,4-5,8-11H2,(H,25,28).
What are the key properties of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.36, 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)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155297584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).