2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C26H28F2N6O — CID 118369764

IUPAC2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCc1cc(F)ccc1Nc1ncc2c(n1)CN(C(=O)NC1CN(C)C[C@H]1c1cccc(F)c1)CC2
InChIInChI=1S/C26H28F2N6O/c1-16-10-20(28)6-7-22(16)30-25-29-12-18-8-9-34(15-23(18)31-25)26(35)32-24-14-33(2)13-21(24)17-4-3-5-19(27)11-17/h3-7,10-12,21,24H,8-9,13-15H2,1-2H3,(H,32,35)(H,29,30,31)/t21-,24?/m0/s1
InChIKeyWZYFSSOJDYRRAA-XEGCMXMBSA-N
MW478.55 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 118369764) has the molecular formula C26H28F2N6O and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID118369764
Molecular FormulaC26H28F2N6O
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCc1cc(F)ccc1Nc1ncc2c(n1)CN(C(=O)NC1CN(C)C[C@H]1c1cccc(F)c1)CC2
InChIInChI=1S/C26H28F2N6O/c1-16-10-20(28)6-7-22(16)30-25-29-12-18-8-9-34(15-23(18)31-25)26(35)32-24-14-33(2)13-21(24)17-4-3-5-19(27)11-17/h3-7,10-12,21,24H,8-9,13-15H2,1-2H3,(H,32,35)(H,29,30,31)/t21-,24?/m0/s1
InChIKeyWZYFSSOJDYRRAA-XEGCMXMBSA-N
XLogP3.97
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 118369764) is 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is Cc1cc(F)ccc1Nc1ncc2c(n1)CN(C(=O)NC1CN(C)C[C@H]1c1cccc(F)c1)CC2.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is WZYFSSOJDYRRAA-XEGCMXMBSA-N. The full InChI is InChI=1S/C26H28F2N6O/c1-16-10-20(28)6-7-22(16)30-25-29-12-18-8-9-34(15-23(18)31-25)26(35)32-24-14-33(2)13-21(24)17-4-3-5-19(27)11-17/h3-7,10-12,21,24H,8-9,13-15H2,1-2H3,(H,32,35)(H,29,30,31)/t21-,24?/m0/s1.
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-[(4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 118369764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).