4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine

C25H24FN7 — CID 90098933

IUPAC4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine
SMILESFc1c(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccnc1Nc1ccccc1
InChIInChI=1S/C25H24FN7/c26-22-18(8-9-29-24(22)30-17-4-2-1-3-5-17)23-31-20-15-28-14-19(16-6-7-16)21(20)25(32-23)33-12-10-27-11-13-33/h1-5,8-9,14-16,27H,6-7,10-13H2,(H,29,30)
InChIKeyXHCHAWOAPJIQRX-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.26
Rot. Bonds5

About 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine

4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine (PubChem CID 90098933) has the molecular formula C25H24FN7 and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine
PubChem CID90098933
Molecular FormulaC25H24FN7
Molecular Weight441.51 g/mol
Exact Mass441.21
IUPAC Name4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine
SMILESFc1c(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccnc1Nc1ccccc1
InChIInChI=1S/C25H24FN7/c26-22-18(8-9-29-24(22)30-17-4-2-1-3-5-17)23-31-20-15-28-14-19(16-6-7-16)21(20)25(32-23)33-12-10-27-11-13-33/h1-5,8-9,14-16,27H,6-7,10-13H2,(H,29,30)
InChIKeyXHCHAWOAPJIQRX-UHFFFAOYSA-N
XLogP4.26
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine?
The IUPAC name of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine (CID 90098933) is 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine.
What is the SMILES notation for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine?
The canonical SMILES for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine is Fc1c(-c2nc(N3CCNCC3)c3c(C4CC4)cncc3n2)ccnc1Nc1ccccc1.
What is the InChIKey of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine?
The InChIKey is XHCHAWOAPJIQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7/c26-22-18(8-9-29-24(22)30-17-4-2-1-3-5-17)23-31-20-15-28-14-19(16-6-7-16)21(20)25(32-23)33-12-10-27-11-13-33/h1-5,8-9,14-16,27H,6-7,10-13H2,(H,29,30).
What are the key properties of 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine?
4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine has a molecular weight of 441.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-3-fluoro-N-phenylpyridin-2-amine is sourced from PubChem (CID 90098933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).