3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide

C25H19FN6O2 — CID 169230977

IUPAC3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C25H19FN6O2/c1-32-13-18(21(31-32)15-7-4-3-5-8-15)22-23-19(27-14-28-22)12-20(34-2)24(29-23)30-25(33)16-9-6-10-17(26)11-16/h3-14H,1-2H3,(H,29,30,33)
InChIKeyOVVAUYKOUMWSPX-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.49
Rot. Bonds5

About 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide

3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide (PubChem CID 169230977) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide
PubChem CID169230977
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC Name3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C25H19FN6O2/c1-32-13-18(21(31-32)15-7-4-3-5-8-15)22-23-19(27-14-28-22)12-20(34-2)24(29-23)30-25(33)16-9-6-10-17(26)11-16/h3-14H,1-2H3,(H,29,30,33)
InChIKeyOVVAUYKOUMWSPX-UHFFFAOYSA-N
XLogP4.49
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide?
The IUPAC name of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide (CID 169230977) is 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2nc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide?
The InChIKey is OVVAUYKOUMWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-32-13-18(21(31-32)15-7-4-3-5-8-15)22-23-19(27-14-28-22)12-20(34-2)24(29-23)30-25(33)16-9-6-10-17(26)11-16/h3-14H,1-2H3,(H,29,30,33).
What are the key properties of 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide?
3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide has a molecular weight of 454.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 169230977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).