4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

C19H17F3N4O2 — CID 156514049

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N2CC[C@@H](O)C2)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H17F3N4O2/c1-11-4-2-3-5-14(11)26-17-13(6-7-15(23-17)19(20,21)22)16(24-18(26)28)25-9-8-12(27)10-25/h2-7,12,27H,8-10H2,1H3/t12-/m1/s1
InChIKeyZFEFRIQBVZNPPE-GFCCVEGCSA-N
MW390.37 g/mol
LogP2.68
Rot. Bonds2

About 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one

4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 156514049) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID156514049
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N2CC[C@@H](O)C2)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C19H17F3N4O2/c1-11-4-2-3-5-14(11)26-17-13(6-7-15(23-17)19(20,21)22)16(24-18(26)28)25-9-8-12(27)10-25/h2-7,12,27H,8-10H2,1H3/t12-/m1/s1
InChIKeyZFEFRIQBVZNPPE-GFCCVEGCSA-N
XLogP2.68
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one (CID 156514049) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is Cc1ccccc1-n1c(=O)nc(N2CC[C@@H](O)C2)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is ZFEFRIQBVZNPPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11-4-2-3-5-14(11)26-17-13(6-7-15(23-17)19(20,21)22)16(24-18(26)28)25-9-8-12(27)10-25/h2-7,12,27H,8-10H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 390.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).