4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one

C18H11F7N4O — CID 162533599

IUPAC4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NC2C[C@H]2F)c2ccc(C(F)(F)F)nc2n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F7N4O/c19-10-7-11(10)26-14-8-5-6-13(18(23,24)25)27-15(8)29(16(30)28-14)12-4-2-1-3-9(12)17(20,21)22/h1-6,10-11H,7H2,(H,26,28,30)/t10-,11?/m1/s1
InChIKeyIDLHCRZYVOLNLS-NFJWQWPMSA-N
MW432.30 g/mol
LogP4.34
Rot. Bonds3

About 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one

4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 162533599) has the molecular formula C18H11F7N4O and a molecular weight of 432.30 g/mol. Its IUPAC name is 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
PubChem CID162533599
Molecular FormulaC18H11F7N4O
Molecular Weight432.30 g/mol
Exact Mass432.08
IUPAC Name4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NC2C[C@H]2F)c2ccc(C(F)(F)F)nc2n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H11F7N4O/c19-10-7-11(10)26-14-8-5-6-13(18(23,24)25)27-15(8)29(16(30)28-14)12-4-2-1-3-9(12)17(20,21)22/h1-6,10-11H,7H2,(H,26,28,30)/t10-,11?/m1/s1
InChIKeyIDLHCRZYVOLNLS-NFJWQWPMSA-N
XLogP4.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-[4-[(sulfamoylamino)methyl]phenyl]urea
CID 71506872
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
CID 11762017
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162664133
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162666327
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-7-yl)urea
CID 162666624
1-(1-Methyl-2-oxoquinolin-5-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162667011
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 162668548
1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115
1-(2-Isopropylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 70887092
1-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 70887095
1-(4-Fluorophenyl)-3-(3-(6-(pyrrolidin-1-yl)pyridin-2-yl)phenyl)urea
CID 117911520
1-[3-Fluoro-4-[(sulfamoylamino)methyl]phenyl]-3-[[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 86766413

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one (CID 162533599) is 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NC2C[C@H]2F)c2ccc(C(F)(F)F)nc2n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is IDLHCRZYVOLNLS-NFJWQWPMSA-N. The full InChI is InChI=1S/C18H11F7N4O/c19-10-7-11(10)26-14-8-5-6-13(18(23,24)25)27-15(8)29(16(30)28-14)12-4-2-1-3-9(12)17(20,21)22/h1-6,10-11H,7H2,(H,26,28,30)/t10-,11?/m1/s1.
What are the key properties of 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one?
4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 432.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-fluorocyclopropyl]amino]-7-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162533599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).