5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

C25H23FN6 — CID 118225006

IUPAC5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESFc1ccc(-c2cnccc2-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc1
InChIInChI=1S/C25H23FN6/c26-18-5-3-16(4-6-18)20-13-28-8-7-19(20)24-30-22-15-29-14-21(17-1-2-17)23(22)25(31-24)32-11-9-27-10-12-32/h3-8,13-15,17,27H,1-2,9-12H2
InChIKeyIFSGKBVCMVSPIM-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.18
Rot. Bonds4

About 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine

5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 118225006) has the molecular formula C25H23FN6 and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID118225006
Molecular FormulaC25H23FN6
Molecular Weight426.50 g/mol
Exact Mass426.20
IUPAC Name5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
SMILESFc1ccc(-c2cnccc2-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc1
InChIInChI=1S/C25H23FN6/c26-18-5-3-16(4-6-18)20-13-28-8-7-19(20)24-30-22-15-29-14-21(17-1-2-17)23(22)25(31-24)32-11-9-27-10-12-32/h3-8,13-15,17,27H,1-2,9-12H2
InChIKeyIFSGKBVCMVSPIM-UHFFFAOYSA-N
XLogP4.18
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
SD-208
CID 10316032
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Pik-iii
CID 67983123
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine (CID 118225006) is 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is Fc1ccc(-c2cnccc2-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)cc1.
What is the InChIKey of 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is IFSGKBVCMVSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6/c26-18-5-3-16(4-6-18)20-13-28-8-7-19(20)24-30-22-15-29-14-21(17-1-2-17)23(22)25(31-24)32-11-9-27-10-12-32/h3-8,13-15,17,27H,1-2,9-12H2.
What are the key properties of 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine?
5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 426.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-(4-fluorophenyl)-4-pyridinyl]-4-piperazin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 118225006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).