[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone

C23H18FN7O — CID 92573057

IUPAC[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1
InChIInChI=1S/C23H18FN7O/c24-17-3-1-2-4-19(17)29-22-16-14-31(23(32)20-13-26-10-11-27-20)12-7-18(16)28-21(30-22)15-5-8-25-9-6-15/h1-6,8-11,13H,7,12,14H2,(H,28,29,30)
InChIKeyQUSIERNQVUEDQL-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.41
Rot. Bonds4

About [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone

[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone (PubChem CID 92573057) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
PubChem CID92573057
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1
InChIInChI=1S/C23H18FN7O/c24-17-3-1-2-4-19(17)29-22-16-14-31(23(32)20-13-26-10-11-27-20)12-7-18(16)28-21(30-22)15-5-8-25-9-6-15/h1-6,8-11,13H,7,12,14H2,(H,28,29,30)
InChIKeyQUSIERNQVUEDQL-UHFFFAOYSA-N
XLogP3.41
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 98134967
(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-pyrazin-2-ylmethanone
CID 95828470
1-[4-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 46951457
[4-(3-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(3R)-oxolan-3-yl]methanone
CID 92568726
N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788084
[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
4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
CID 62896264
(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 53147080
(4-anilino-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-4-ylmethanone
CID 92575045
(5R)-5-[4-(4-fluoroanilino)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-one
CID 92570926
1-[4-(3,4-dimethoxyanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-dimethylpropan-1-one
CID 92551807
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone (CID 92573057) is [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCc2nc(-c3ccncc3)nc(Nc3ccccc3F)c2C1.
What is the InChIKey of [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
The InChIKey is QUSIERNQVUEDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c24-17-3-1-2-4-19(17)29-22-16-14-31(23(32)20-13-26-10-11-27-20)12-7-18(16)28-21(30-22)15-5-8-25-9-6-15/h1-6,8-11,13H,7,12,14H2,(H,28,29,30).
What are the key properties of [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
[4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone has a molecular weight of 427.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroanilino)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 92573057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).