4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine

C26H23FN6O2 — CID 169231442

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccc(F)cc4)ncnc3cc2OC)cc1
InChIInChI=1S/C26H23FN6O2/c1-33-14-20(23(32-33)17-6-8-18(27)9-7-17)24-25-21(29-15-30-24)12-22(35-3)26(31-25)28-13-16-4-10-19(34-2)11-5-16/h4-12,14-15H,13H2,1-3H3,(H,28,31)
InChIKeyBCRUADCKNPKSPM-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.86
Rot. Bonds7

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine (PubChem CID 169231442) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
PubChem CID169231442
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccc(F)cc4)ncnc3cc2OC)cc1
InChIInChI=1S/C26H23FN6O2/c1-33-14-20(23(32-33)17-6-8-18(27)9-7-17)24-25-21(29-15-30-24)12-22(35-3)26(31-25)28-13-16-4-10-19(34-2)11-5-16/h4-12,14-15H,13H2,1-3H3,(H,28,31)
InChIKeyBCRUADCKNPKSPM-UHFFFAOYSA-N
XLogP4.86
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine (CID 169231442) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine is COc1ccc(CNc2nc3c(-c4cn(C)nc4-c4ccc(F)cc4)ncnc3cc2OC)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
The InChIKey is BCRUADCKNPKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-33-14-20(23(32-33)17-6-8-18(27)9-7-17)24-25-21(29-15-30-24)12-22(35-3)26(31-25)28-13-16-4-10-19(34-2)11-5-16/h4-12,14-15H,13H2,1-3H3,(H,28,31).
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine has a molecular weight of 470.51 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 169231442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).