N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H11Cl2N5O3S — CID 164745690

IUPACN-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Sc2cnc(Cl)cn2)c1Cl)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C19H11Cl2N5O3S/c20-12-8-23-14(9-22-12)30-11-5-3-4-10(16(11)21)24-17(27)15-18(28)25-13-6-1-2-7-26(13)19(15)29/h1-9,28H,(H,24,27)
InChIKeyFZUHJJUQUQDEEY-UHFFFAOYSA-N
MW460.30 g/mol
LogP3.90
Rot. Bonds4

About N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 164745690) has the molecular formula C19H11Cl2N5O3S and a molecular weight of 460.30 g/mol. Its IUPAC name is N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID164745690
Molecular FormulaC19H11Cl2N5O3S
Molecular Weight460.30 g/mol
Exact Mass459.00
IUPAC NameN-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Sc2cnc(Cl)cn2)c1Cl)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C19H11Cl2N5O3S/c20-12-8-23-14(9-22-12)30-11-5-3-4-10(16(11)21)24-17(27)15-18(28)25-13-6-1-2-7-26(13)19(15)29/h1-9,28H,(H,24,27)
InChIKeyFZUHJJUQUQDEEY-UHFFFAOYSA-N
XLogP3.90
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-chloro-3-[5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 167041177
N-(2-chlorophenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137278968
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 139509488
N-[3-[[5-amino-3-(7-azadispiro[2.0.54.33]dodecan-7-yl)-1,4-dihydro-1,2,4-triazin-1-ium-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 145418523
N-[3-[3-amino-5-(4-amino-3,3-difluoro-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 146563062
tert-butyl N-[1-[[6-amino-5-[2-chloro-3-[(2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]phenyl]sulfanylpyrazin-2-yl]methyl]piperidin-4-yl]carbamate
CID 175979480
N-[3-[[5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1,2,4-triazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251358
N-(2-ethoxyphenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137279230
N-[3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxopiperazin-2-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 154826511
N-[3-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;N-[3-[5-[(4R)-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 158373593
N-[3-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1,2,4-triazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 175562050
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 164745690) is N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(Sc2cnc(Cl)cn2)c1Cl)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FZUHJJUQUQDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N5O3S/c20-12-8-23-14(9-22-12)30-11-5-3-4-10(16(11)21)24-17(27)15-18(28)25-13-6-1-2-7-26(13)19(15)29/h1-9,28H,(H,24,27).
What are the key properties of N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 460.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(5-chloropyrazin-2-yl)sulfanylphenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164745690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).