[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone

C24H20FN5O2 — CID 151400903

IUPAC[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncnc(Nc4ccc(F)cc4)c3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H20FN5O2/c25-18-5-7-19(8-6-18)28-23-22-21(26-15-27-23)10-9-20(29-22)16-1-3-17(4-2-16)24(31)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H,26,27,28)
InChIKeyOWLQCVTVWUNWIK-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.05
Rot. Bonds4

About [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 151400903) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID151400903
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncnc(Nc4ccc(F)cc4)c3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H20FN5O2/c25-18-5-7-19(8-6-18)28-23-22-21(26-15-27-23)10-9-20(29-22)16-1-3-17(4-2-16)24(31)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H,26,27,28)
InChIKeyOWLQCVTVWUNWIK-UHFFFAOYSA-N
XLogP4.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343620
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
2-(4-fluorophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78892236
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846
N'-ethyl-4-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzohydrazide
CID 178034949
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
[4-[(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 91960840
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 69015649
tert-butyl 4-[4-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]benzoyl]piperazine-1-carboxylate
CID 58716598

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 151400903) is [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3ncnc(Nc4ccc(F)cc4)c3n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is OWLQCVTVWUNWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-18-5-7-19(8-6-18)28-23-22-21(26-15-27-23)10-9-20(29-22)16-1-3-17(4-2-16)24(31)30-11-13-32-14-12-30/h1-10,15H,11-14H2,(H,26,27,28).
What are the key properties of [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 429.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 151400903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).