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

C32H28FN7O3 — CID 148724849

IUPAC1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cccnc5)cc4n3)c(F)c2)cc1
InChIInChI=1S/C32H28FN7O3/c1-20(41)15-21-4-6-24(7-5-21)36-32(42)37-25-8-9-26(27(33)17-25)30-38-28-16-23(22-3-2-10-34-18-22)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)
InChIKeyNZUNEFJFLZQNOY-UHFFFAOYSA-N
MW577.62 g/mol
LogP5.51
Rot. Bonds7

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

1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea (PubChem CID 148724849) has the molecular formula C32H28FN7O3 and a molecular weight of 577.62 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
PubChem CID148724849
Molecular FormulaC32H28FN7O3
Molecular Weight577.62 g/mol
Exact Mass577.22
IUPAC Name1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cccnc5)cc4n3)c(F)c2)cc1
InChIInChI=1S/C32H28FN7O3/c1-20(41)15-21-4-6-24(7-5-21)36-32(42)37-25-8-9-26(27(33)17-25)30-38-28-16-23(22-3-2-10-34-18-22)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)
InChIKeyNZUNEFJFLZQNOY-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-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea with MolForge

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Related Compounds

CID 59239114
CID 59239114
CID 73386687
CID 73386687
CID 137635885
CID 137635885
CID 137641431
CID 137641431
CID 137653212
CID 137653212
CID 145971580
CID 145971580
CID 22030144
CID 22030144
CID 23630332
CID 23630332
CID 44587934
CID 44587934
CID 44816122
CID 44816122
CID 53321409
CID 53321409
CID 57442001
CID 57442001

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The IUPAC name of 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea (CID 148724849) is 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The canonical SMILES for 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea is CC(=O)Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4ncc(-c5cccnc5)cc4n3)c(F)c2)cc1.
What is the InChIKey of 1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
The InChIKey is NZUNEFJFLZQNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN7O3/c1-20(41)15-21-4-6-24(7-5-21)36-32(42)37-25-8-9-26(27(33)17-25)30-38-28-16-23(22-3-2-10-34-18-22)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-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea?
1-[3-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)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-(4-morpholin-4-yl-7-pyridin-3-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea is sourced from PubChem (CID 148724849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).