2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide

C19H18FN5O2 — CID 67774793

IUPAC2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCC1COCCN1c1ncnc2nc(-c3ccc(C(N)=O)c(F)c3)ccc12
InChIInChI=1S/C19H18FN5O2/c1-11-9-27-7-6-25(11)19-14-4-5-16(24-18(14)22-10-23-19)12-2-3-13(17(21)26)15(20)8-12/h2-5,8,10-11H,6-7,9H2,1H3,(H2,21,26)
InChIKeyCSEXZGWICRMMGR-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.15
Rot. Bonds3

About 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide

2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 67774793) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID67774793
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCC1COCCN1c1ncnc2nc(-c3ccc(C(N)=O)c(F)c3)ccc12
InChIInChI=1S/C19H18FN5O2/c1-11-9-27-7-6-25(11)19-14-4-5-16(24-18(14)22-10-23-19)12-2-3-13(17(21)26)15(20)8-12/h2-5,8,10-11H,6-7,9H2,1H3,(H2,21,26)
InChIKeyCSEXZGWICRMMGR-UHFFFAOYSA-N
XLogP2.15
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Vistusertib
CID 25262792
Mti-31
CID 118591386
4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide
CID 142580242
4-fluoro-N-[(1S,2S)-2-methyl-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]benzamide
CID 142580265
4-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25061438
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-5-yl]-benzamide
CID 44381459
N-(2-aminophenyl)-4-((4-(6-morpholinopyridin-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570806
4-fluoro-N-[4-[[(7-methyl-2-morpholin-4-ylquinazolin-4-yl)amino]methyl]phenyl]benzamide
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3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzamide
CID 57441994
(3R)-3-amino-1-[4-(1,8-naphthyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70693040
3-[2-tert-butyl-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 71250872
Jak-IN-20
CID 117858429

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 67774793) is 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide is CC1COCCN1c1ncnc2nc(-c3ccc(C(N)=O)c(F)c3)ccc12.
What is the InChIKey of 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is CSEXZGWICRMMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-11-9-27-7-6-25(11)19-14-4-5-16(24-18(14)22-10-23-19)12-2-3-13(17(21)26)15(20)8-12/h2-5,8,10-11H,6-7,9H2,1H3,(H2,21,26).
What are the key properties of 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide?
2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 367.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 67774793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).