N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide

C17H17ClN6O3S — CID 58023395

IUPACN-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ncc(Cl)cn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12
InChIInChI=1S/C17H17ClN6O3S/c18-12-9-19-17(20-10-12)22-16(25)15-21-13(14-3-1-2-4-24(14)15)11-23-5-7-28(26,27)8-6-23/h1-4,9-10H,5-8,11H2,(H,19,20,22,25)
InChIKeyJPCSDDIOIFQRKM-UHFFFAOYSA-N
MW420.88 g/mol
LogP1.26
Rot. Bonds4

About N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide

N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 58023395) has the molecular formula C17H17ClN6O3S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID58023395
Molecular FormulaC17H17ClN6O3S
Molecular Weight420.88 g/mol
Exact Mass420.08
IUPAC NameN-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1ncc(Cl)cn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12
InChIInChI=1S/C17H17ClN6O3S/c18-12-9-19-17(20-10-12)22-16(25)15-21-13(14-3-1-2-4-24(14)15)11-23-5-7-28(26,27)8-6-23/h1-4,9-10H,5-8,11H2,(H,19,20,22,25)
InChIKeyJPCSDDIOIFQRKM-UHFFFAOYSA-N
XLogP1.26
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 58023395) is N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1ncc(Cl)cn1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is JPCSDDIOIFQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3S/c18-12-9-19-17(20-10-12)22-16(25)15-21-13(14-3-1-2-4-24(14)15)11-23-5-7-28(26,27)8-6-23/h1-4,9-10H,5-8,11H2,(H,19,20,22,25).
What are the key properties of N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide?
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 58023395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).