[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone

C23H19FN6O2 — CID 92567170

IUPAC[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCc3nc(-c4ccncc4)nc(Oc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C23H19FN6O2/c1-29-12-8-20(28-29)23(31)30-13-9-19-18(14-30)22(32-17-4-2-16(24)3-5-17)27-21(26-19)15-6-10-25-11-7-15/h2-8,10-12H,9,13-14H2,1H3
InChIKeyXEJCPFXZEYCIRP-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.40
Rot. Bonds4

About [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone

[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 92567170) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID92567170
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCc3nc(-c4ccncc4)nc(Oc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C23H19FN6O2/c1-29-12-8-20(28-29)23(31)30-13-9-19-18(14-30)22(32-17-4-2-16(24)3-5-17)27-21(26-19)15-6-10-25-11-7-15/h2-8,10-12H,9,13-14H2,1H3
InChIKeyXEJCPFXZEYCIRP-UHFFFAOYSA-N
XLogP3.40
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone (CID 92567170) is [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCc3nc(-c4ccncc4)nc(Oc4ccc(F)cc4)c3C2)n1.
What is the InChIKey of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is XEJCPFXZEYCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-29-12-8-20(28-29)23(31)30-13-9-19-18(14-30)22(32-17-4-2-16(24)3-5-17)27-21(26-19)15-6-10-25-11-7-15/h2-8,10-12H,9,13-14H2,1H3.
What are the key properties of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone?
[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 430.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 92567170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).