6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C38H23Cl2F2N9 — CID 139453638

IUPAC6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCNc1ncnc2ccc(-c3cccnc3-c3cc(Cl)c(-c4cnc(-c5cc(Cl)ccc5F)c(-c5ccc6ncnc(N)c6n5)c4)cc3F)cc12
InChIInChI=1S/C38H23Cl2F2N9/c1-44-38-27-11-19(4-7-31(27)47-18-50-38)22-3-2-10-45-34(22)25-14-28(40)23(15-30(25)42)20-12-26(32-8-9-33-36(51-32)37(43)49-17-48-33)35(46-16-20)24-13-21(39)5-6-29(24)41/h2-18H,1H3,(H2,43,48,49)(H,44,47,50)
InChIKeyBTBINLOHUUAGQL-UHFFFAOYSA-N
MW714.57 g/mol
LogP9.30
Rot. Bonds6

About 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 139453638) has the molecular formula C38H23Cl2F2N9 and a molecular weight of 714.57 g/mol. Its IUPAC name is 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID139453638
Molecular FormulaC38H23Cl2F2N9
Molecular Weight714.57 g/mol
Exact Mass713.14
IUPAC Name6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCNc1ncnc2ccc(-c3cccnc3-c3cc(Cl)c(-c4cnc(-c5cc(Cl)ccc5F)c(-c5ccc6ncnc(N)c6n5)c4)cc3F)cc12
InChIInChI=1S/C38H23Cl2F2N9/c1-44-38-27-11-19(4-7-31(27)47-18-50-38)22-3-2-10-45-34(22)25-14-28(40)23(15-30(25)42)20-12-26(32-8-9-33-36(51-32)37(43)49-17-48-33)35(46-16-20)24-13-21(39)5-6-29(24)41/h2-18H,1H3,(H2,43,48,49)(H,44,47,50)
InChIKeyBTBINLOHUUAGQL-UHFFFAOYSA-N
XLogP9.30
TPSA128.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.57
LogP ≤ 59.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine 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 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 139453638) is 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is CNc1ncnc2ccc(-c3cccnc3-c3cc(Cl)c(-c4cnc(-c5cc(Cl)ccc5F)c(-c5ccc6ncnc(N)c6n5)c4)cc3F)cc12.
What is the InChIKey of 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BTBINLOHUUAGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23Cl2F2N9/c1-44-38-27-11-19(4-7-31(27)47-18-50-38)22-3-2-10-45-34(22)25-14-28(40)23(15-30(25)42)20-12-26(32-8-9-33-36(51-32)37(43)49-17-48-33)35(46-16-20)24-13-21(39)5-6-29(24)41/h2-18H,1H3,(H2,43,48,49)(H,44,47,50).
What are the key properties of 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 714.57 g/mol, XLogP of 9.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-chloro-5-fluoro-4-[3-[4-(methylamino)quinazolin-6-yl]-2-pyridinyl]phenyl]-2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 139453638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).