4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide

C25H23ClFN7O — CID 68920505

IUPAC4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESNc1nc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C25H23ClFN7O/c26-18-3-1-2-16(14-18)15-29-25(35)34-12-10-33(11-13-34)23-22-21(31-24(28)32-23)9-8-20(30-22)17-4-6-19(27)7-5-17/h1-9,14H,10-13,15H2,(H,29,35)(H2,28,31,32)
InChIKeyYZTRHKOFWYNMFH-UHFFFAOYSA-N
MW491.96 g/mol
LogP4.10
Rot. Bonds4

About 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide

4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 68920505) has the molecular formula C25H23ClFN7O and a molecular weight of 491.96 g/mol. Its IUPAC name is 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID68920505
Molecular FormulaC25H23ClFN7O
Molecular Weight491.96 g/mol
Exact Mass491.16
IUPAC Name4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESNc1nc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1
InChIInChI=1S/C25H23ClFN7O/c26-18-3-1-2-16(14-18)15-29-25(35)34-12-10-33(11-13-34)23-22-21(31-24(28)32-23)9-8-20(30-22)17-4-6-19(27)7-5-17/h1-9,14H,10-13,15H2,(H,29,35)(H2,28,31,32)
InChIKeyYZTRHKOFWYNMFH-UHFFFAOYSA-N
XLogP4.10
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide (CID 68920505) is 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide is Nc1nc(N2CCN(C(=O)NCc3cccc(Cl)c3)CC2)c2nc(-c3ccc(F)cc3)ccc2n1.
What is the InChIKey of 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is YZTRHKOFWYNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN7O/c26-18-3-1-2-16(14-18)15-29-25(35)34-12-10-33(11-13-34)23-22-21(31-24(28)32-23)9-8-20(30-22)17-4-6-19(27)7-5-17/h1-9,14H,10-13,15H2,(H,29,35)(H2,28,31,32).
What are the key properties of 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide?
4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 491.96 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 68920505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).