4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide

C25H24Cl2N8O3 — CID 110194609

IUPAC4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(c3nc(N)nc4ncc(-c5ccc(Cl)cc5Cl)nc34)CC2)c1
InChIInChI=1S/C25H24Cl2N8O3/c1-37-15-4-6-20(38-2)18(12-15)31-25(36)35-9-7-34(8-10-35)23-21-22(32-24(28)33-23)29-13-19(30-21)16-5-3-14(26)11-17(16)27/h3-6,11-13H,7-10H2,1-2H3,(H,31,36)(H2,28,29,32,33)
InChIKeySALPEXAMBCNZGP-UHFFFAOYSA-N
MW555.43 g/mol
LogP4.35
Rot. Bonds5

About 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide

4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 110194609) has the molecular formula C25H24Cl2N8O3 and a molecular weight of 555.43 g/mol. Its IUPAC name is 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID110194609
Molecular FormulaC25H24Cl2N8O3
Molecular Weight555.43 g/mol
Exact Mass554.13
IUPAC Name4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCN(c3nc(N)nc4ncc(-c5ccc(Cl)cc5Cl)nc34)CC2)c1
InChIInChI=1S/C25H24Cl2N8O3/c1-37-15-4-6-20(38-2)18(12-15)31-25(36)35-9-7-34(8-10-35)23-21-22(32-24(28)33-23)29-13-19(30-21)16-5-3-14(26)11-17(16)27/h3-6,11-13H,7-10H2,1-2H3,(H,31,36)(H2,28,29,32,33)
InChIKeySALPEXAMBCNZGP-UHFFFAOYSA-N
XLogP4.35
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-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

(E)-1-[4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]piperazin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 110194643
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 11237571
4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
CID 110194603
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71572647
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 11785248
N-(5-chloro-2-methoxyphenyl)-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carboxamide
CID 53084389
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-methyl-N-phenylpiperazine-1-carboxamide
CID 11318021
4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
CID 11364490
1-N-(2,5-dimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 3830798
1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea
CID 17283054

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide (CID 110194609) is 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(OC)c(NC(=O)N2CCN(c3nc(N)nc4ncc(-c5ccc(Cl)cc5Cl)nc34)CC2)c1.
What is the InChIKey of 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is SALPEXAMBCNZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N8O3/c1-37-15-4-6-20(38-2)18(12-15)31-25(36)35-9-7-34(8-10-35)23-21-22(32-24(28)33-23)29-13-19(30-21)16-5-3-14(26)11-17(16)27/h3-6,11-13H,7-10H2,1-2H3,(H,31,36)(H2,28,29,32,33).
What are the key properties of 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 555.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 110194609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).