1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea

C32H28FN7O3 — CID 152946337

IUPAC1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cccnc5)cc4n3)cc2)cc1F
InChIInChI=1S/C32H28FN7O3/c1-20(41)15-22-6-9-26(17-27(22)33)37-32(42)36-25-7-4-21(5-8-25)30-38-28-16-24(23-3-2-10-34-18-23)19-35-29(28)31(39-30)40-11-13-43-14-12-40/h2-10,16-19H,11-15H2,1H3,(H2,36,37,42)
InChIKeyUNVCSPKPVQELKN-UHFFFAOYSA-N
MW577.62 g/mol
LogP5.51
Rot. Bonds7

About 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea

1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea (PubChem CID 152946337) has the molecular formula C32H28FN7O3 and a molecular weight of 577.62 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
PubChem CID152946337
Molecular FormulaC32H28FN7O3
Molecular Weight577.62 g/mol
Exact Mass577.22
IUPAC Name1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cccnc5)cc4n3)cc2)cc1F
InChIInChI=1S/C32H28FN7O3/c1-20(41)15-22-6-9-26(17-27(22)33)37-32(42)36-25-7-4-21(5-8-25)30-38-28-16-24(23-3-2-10-34-18-23)19-35-29(28)31(39-30)40-11-13-43-14-12-40/h2-10,16-19H,11-15H2,1H3,(H2,36,37,42)
InChIKeyUNVCSPKPVQELKN-UHFFFAOYSA-N
XLogP5.51
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.62
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea with MolForge

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Related Compounds

N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
N-methyl-4-[[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 137641431
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-(morpholinomethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030144
N-(6-(2-aminopyrimidin-5-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 23630332
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 44587934
1-ethyl-3-[4-(4-morpholin-4-yl-6-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]urea
CID 44816122
n-(6-(6-Aminopyridin-3-yl)-2-morpholinopyrimidin-4-yl)quinolin-3-amine
CID 53321409
(2S,6R)-2,6-dimethyl-4-[4-[(3S)-3-methylmorpholin-4-yl]-7-phenylpteridin-2-yl]morpholine
CID 57442001
2-[4-[5-(3-acetamidophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-fluorophenyl)acetamide
CID 58345232

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea (CID 152946337) is 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea is CC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cccnc5)cc4n3)cc2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea?
The InChIKey is UNVCSPKPVQELKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN7O3/c1-20(41)15-22-6-9-26(17-27(22)33)37-32(42)36-25-7-4-21(5-8-25)30-38-28-16-24(23-3-2-10-34-18-23)19-35-29(28)31(39-30)40-11-13-43-14-12-40/h2-10,16-19H,11-15H2,1H3,(H2,36,37,42).
What are the key properties of 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea?
1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea has a molecular weight of 577.62 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-oxopropyl)phenyl]-3-[4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 152946337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).