6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C28H24F4N10 — CID 44622169

IUPAC6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESFc1cc(-c2ccc3nc(NCc4cccc(-n5cncn5)c4)nc(NC4(C(F)(F)F)CC4)c3n2)cnc1NC1CC1
InChIInChI=1S/C28H24F4N10/c29-20-11-17(13-34-24(20)37-18-4-5-18)21-6-7-22-23(38-21)25(41-27(8-9-27)28(30,31)32)40-26(39-22)35-12-16-2-1-3-19(10-16)42-15-33-14-36-42/h1-3,6-7,10-11,13-15,18H,4-5,8-9,12H2,(H,34,37)(H2,35,39,40,41)
InChIKeyQFEMUJKMNIOPSD-UHFFFAOYSA-N
MW576.56 g/mol
LogP5.50
Rot. Bonds9

About 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine

6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 44622169) has the molecular formula C28H24F4N10 and a molecular weight of 576.56 g/mol. Its IUPAC name is 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID44622169
Molecular FormulaC28H24F4N10
Molecular Weight576.56 g/mol
Exact Mass576.21
IUPAC Name6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESFc1cc(-c2ccc3nc(NCc4cccc(-n5cncn5)c4)nc(NC4(C(F)(F)F)CC4)c3n2)cnc1NC1CC1
InChIInChI=1S/C28H24F4N10/c29-20-11-17(13-34-24(20)37-18-4-5-18)21-6-7-22-23(38-21)25(41-27(8-9-27)28(30,31)32)40-26(39-22)35-12-16-2-1-3-19(10-16)42-15-33-14-36-42/h1-3,6-7,10-11,13-15,18H,4-5,8-9,12H2,(H,34,37)(H2,35,39,40,41)
InChIKeyQFEMUJKMNIOPSD-UHFFFAOYSA-N
XLogP5.50
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.56
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine 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-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 44622169) is 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is Fc1cc(-c2ccc3nc(NCc4cccc(-n5cncn5)c4)nc(NC4(C(F)(F)F)CC4)c3n2)cnc1NC1CC1.
What is the InChIKey of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QFEMUJKMNIOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N10/c29-20-11-17(13-34-24(20)37-18-4-5-18)21-6-7-22-23(38-21)25(41-27(8-9-27)28(30,31)32)40-26(39-22)35-12-16-2-1-3-19(10-16)42-15-33-14-36-42/h1-3,6-7,10-11,13-15,18H,4-5,8-9,12H2,(H,34,37)(H2,35,39,40,41).
What are the key properties of 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 576.56 g/mol, XLogP of 5.50, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(cyclopropylamino)-5-fluoro-3-pyridinyl]-2-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-4-N-[1-(trifluoromethyl)cyclopropyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44622169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).