[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone

C20H20FN5O — CID 90408078

IUPAC[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone
SMILESCc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1cccc(F)c1C)C2
InChIInChI=1S/C20H20FN5O/c1-11-9-15-18(23-13(3)24-19(15)17-7-8-22-25-17)10-26(11)20(27)14-5-4-6-16(21)12(14)2/h4-8,11H,9-10H2,1-3H3,(H,22,25)
InChIKeyRRJIHTIRVLVRFM-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.21
Rot. Bonds2

About [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone

[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone (PubChem CID 90408078) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone
PubChem CID90408078
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone
SMILESCc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1cccc(F)c1C)C2
InChIInChI=1S/C20H20FN5O/c1-11-9-15-18(23-13(3)24-19(15)17-7-8-22-25-17)10-26(11)20(27)14-5-4-6-16(21)12(14)2/h4-8,11H,9-10H2,1-3H3,(H,22,25)
InChIKeyRRJIHTIRVLVRFM-UHFFFAOYSA-N
XLogP3.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone?
The IUPAC name of [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone (CID 90408078) is [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone is Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1cccc(F)c1C)C2.
What is the InChIKey of [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone?
The InChIKey is RRJIHTIRVLVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-11-9-15-18(23-13(3)24-19(15)17-7-8-22-25-17)10-26(11)20(27)14-5-4-6-16(21)12(14)2/h4-8,11H,9-10H2,1-3H3,(H,22,25).
What are the key properties of [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone?
[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(3-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 90408078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).