6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H21FN4O — CID 121456100

IUPAC6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H21FN4O/c26-20-9-10-23(24(14-20)31-17-18-6-2-1-3-7-18)30-13-11-21-19(16-30)15-28-25(29-21)22-8-4-5-12-27-22/h1-10,12,14-15H,11,13,16-17H2
InChIKeyYUCUORSPAYDCTM-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.82
Rot. Bonds5

About 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 121456100) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID121456100
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H21FN4O/c26-20-9-10-23(24(14-20)31-17-18-6-2-1-3-7-18)30-13-11-21-19(16-30)15-28-25(29-21)22-8-4-5-12-27-22/h1-10,12,14-15H,11,13,16-17H2
InChIKeyYUCUORSPAYDCTM-UHFFFAOYSA-N
XLogP4.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 121456100) is 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)c(OCc2ccccc2)c1.
What is the InChIKey of 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YUCUORSPAYDCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c26-20-9-10-23(24(14-20)31-17-18-6-2-1-3-7-18)30-13-11-21-19(16-30)15-28-25(29-21)22-8-4-5-12-27-22/h1-10,12,14-15H,11,13,16-17H2.
What are the key properties of 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 412.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-phenylmethoxyphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 121456100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).