4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide

C25H25ClN8O — CID 110194603

IUPAC4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(c3nc(N)nc4ncc(-c5ccc(Cl)cc5)nc34)CC2)c1
InChIInChI=1S/C25H25ClN8O/c1-2-16-4-3-5-19(14-16)29-25(35)34-12-10-33(11-13-34)23-21-22(31-24(27)32-23)28-15-20(30-21)17-6-8-18(26)9-7-17/h3-9,14-15H,2,10-13H2,1H3,(H,29,35)(H2,27,28,31,32)
InChIKeyYDIBNTKAGVJVDO-UHFFFAOYSA-N
MW488.98 g/mol
LogP4.24
Rot. Bonds4

About 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide

4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide (PubChem CID 110194603) has the molecular formula C25H25ClN8O and a molecular weight of 488.98 g/mol. Its IUPAC name is 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
PubChem CID110194603
Molecular FormulaC25H25ClN8O
Molecular Weight488.98 g/mol
Exact Mass488.18
IUPAC Name4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(c3nc(N)nc4ncc(-c5ccc(Cl)cc5)nc34)CC2)c1
InChIInChI=1S/C25H25ClN8O/c1-2-16-4-3-5-19(14-16)29-25(35)34-12-10-33(11-13-34)23-21-22(31-24(27)32-23)28-15-20(30-21)17-6-8-18(26)9-7-17/h3-9,14-15H,2,10-13H2,1H3,(H,29,35)(H2,27,28,31,32)
InChIKeyYDIBNTKAGVJVDO-UHFFFAOYSA-N
XLogP4.24
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 11237571
4-[2-amino-6-(2,4-dichlorophenyl)pteridin-4-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 110194609
(2-chlorophenyl) 4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carboxylate
CID 11329883
4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide
CID 10438402
(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
1-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]-1,4-diazepan-1-yl]-2-(4-chlorophenoxy)ethanone;4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
CID 87278564
4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 56942033
N-(3-chlorophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 42665265
[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 68777874
6-(3,4-dimethoxyphenyl)-4-[4-(3-propylphenyl)piperazin-1-yl]pteridin-2-amine
CID 11752087
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide (CID 110194603) is 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide is CCc1cccc(NC(=O)N2CCN(c3nc(N)nc4ncc(-c5ccc(Cl)cc5)nc34)CC2)c1.
What is the InChIKey of 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is YDIBNTKAGVJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O/c1-2-16-4-3-5-19(14-16)29-25(35)34-12-10-33(11-13-34)23-21-22(31-24(27)32-23)28-15-20(30-21)17-6-8-18(26)9-7-17/h3-9,14-15H,2,10-13H2,1H3,(H,29,35)(H2,27,28,31,32).
What are the key properties of 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 110194603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).