N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C25H25ClN8O3S — CID 145418442

IUPACN-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN1CC(N2C=C(CN)CC2)=NC(N)=C1Sc1cccc(NC(=O)c2c(O)nc3ccccn3c2=O)c1Cl
InChIInChI=1S/C25H25ClN8O3S/c1-32-13-18(33-10-8-14(11-27)12-33)30-21(28)25(32)38-16-6-4-5-15(20(16)26)29-22(35)19-23(36)31-17-7-2-3-9-34(17)24(19)37/h2-7,9,12,36H,8,10-11,13,27-28H2,1H3,(H,29,35)
InChIKeyKHNOAOKITSSYIQ-UHFFFAOYSA-N
MW553.05 g/mol
LogP2.38
Rot. Bonds5

About N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 145418442) has the molecular formula C25H25ClN8O3S and a molecular weight of 553.05 g/mol. Its IUPAC name is N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID145418442
Molecular FormulaC25H25ClN8O3S
Molecular Weight553.05 g/mol
Exact Mass552.15
IUPAC NameN-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN1CC(N2C=C(CN)CC2)=NC(N)=C1Sc1cccc(NC(=O)c2c(O)nc3ccccn3c2=O)c1Cl
InChIInChI=1S/C25H25ClN8O3S/c1-32-13-18(33-10-8-14(11-27)12-33)30-21(28)25(32)38-16-6-4-5-15(20(16)26)29-22(35)19-23(36)31-17-7-2-3-9-34(17)24(19)37/h2-7,9,12,36H,8,10-11,13,27-28H2,1H3,(H,29,35)
InChIKeyKHNOAOKITSSYIQ-UHFFFAOYSA-N
XLogP2.38
TPSA154.58 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.05
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 154826511
N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-2-hydroxy-4-oxo-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 154826514
N-(3-((5-(4-(aminomethyl)-4-methylpiperidin-1-yl)-6-oxo-1,6-dihydropyrazin-2-yl)thio)-2-chlorophenyl)-2-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 154826517
N-[2-chloro-3-[(E)-1,2-diamino-2-[(E)-1-[4-(aminomethyl)-4-fluoropiperidin-1-yl]propylideneamino]ethenyl]sulfanylphenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 145418446
N-[3-[[5-amino-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1,2-dihydropyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251399
N-(2-chloro-3-sulfanylphenyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137251411
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-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 139509532
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide
CID 139509533
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 139509547
N-[3-[[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-oxo-1H-pyrazin-2-yl]sulfanyl]-2-chlorophenyl]-4-hydroxy-1,5,5-trimethyl-2-oxopyrrole-3-carboxamide
CID 139509563
N-[2-chloro-3-[[5-(3,3-dimethylbutylamino)-6-oxo-1H-pyrazin-2-yl]sulfanyl]phenyl]-4-hydroxy-1,5,5-trimethyl-2-oxopyrrole-3-carboxamide
CID 139516375

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 145418442) is N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN1CC(N2C=C(CN)CC2)=NC(N)=C1Sc1cccc(NC(=O)c2c(O)nc3ccccn3c2=O)c1Cl.
What is the InChIKey of N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is KHNOAOKITSSYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O3S/c1-32-13-18(33-10-8-14(11-27)12-33)30-21(28)25(32)38-16-6-4-5-15(20(16)26)29-22(35)19-23(36)31-17-7-2-3-9-34(17)24(19)37/h2-7,9,12,36H,8,10-11,13,27-28H2,1H3,(H,29,35).
What are the key properties of N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 553.05 g/mol, XLogP of 2.38, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-amino-3-[4-(aminomethyl)-2,3-dihydropyrrol-1-yl]-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145418442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).