4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine

C24H23FN6O — CID 90098517

IUPAC4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccncc3)nc(N3CCN[C@@H](C(F)c4ccccc4)C3)c12
InChIInChI=1S/C24H23FN6O/c1-32-20-14-27-13-18-21(20)24(30-23(29-18)17-7-9-26-10-8-17)31-12-11-28-19(15-31)22(25)16-5-3-2-4-6-16/h2-10,13-14,19,22,28H,11-12,15H2,1H3/t19-,22?/m1/s1
InChIKeyGIPFZUCATJFPCO-LCQOSCCDSA-N
MW430.49 g/mol
LogP3.58
Rot. Bonds5

About 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine

4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (PubChem CID 90098517) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
PubChem CID90098517
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(-c3ccncc3)nc(N3CCN[C@@H](C(F)c4ccccc4)C3)c12
InChIInChI=1S/C24H23FN6O/c1-32-20-14-27-13-18-21(20)24(30-23(29-18)17-7-9-26-10-8-17)31-12-11-28-19(15-31)22(25)16-5-3-2-4-6-16/h2-10,13-14,19,22,28H,11-12,15H2,1H3/t19-,22?/m1/s1
InChIKeyGIPFZUCATJFPCO-LCQOSCCDSA-N
XLogP3.58
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine (CID 90098517) is 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is COc1cncc2nc(-c3ccncc3)nc(N3CCN[C@@H](C(F)c4ccccc4)C3)c12.
What is the InChIKey of 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
The InChIKey is GIPFZUCATJFPCO-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-32-20-14-27-13-18-21(20)24(30-23(29-18)17-7-9-26-10-8-17)31-12-11-28-19(15-31)22(25)16-5-3-2-4-6-16/h2-10,13-14,19,22,28H,11-12,15H2,1H3/t19-,22?/m1/s1.
What are the key properties of 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine?
4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine has a molecular weight of 430.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[fluoro(phenyl)methyl]piperazin-1-yl]-5-methoxy-2-pyridin-4-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 90098517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).