4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine

C13H13F3N4O — CID 172891686

IUPAC4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCOC1(C(F)(F)F)CCN(c2ncnc3ncccc23)C1
InChIInChI=1S/C13H13F3N4O/c1-21-12(13(14,15)16)4-6-20(7-12)11-9-3-2-5-17-10(9)18-8-19-11/h2-3,5,8H,4,6-7H2,1H3
InChIKeyGYKPCTSPKTUMRV-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.18
Rot. Bonds2

About 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine

4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 172891686) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID172891686
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCOC1(C(F)(F)F)CCN(c2ncnc3ncccc23)C1
InChIInChI=1S/C13H13F3N4O/c1-21-12(13(14,15)16)4-6-20(7-12)11-9-3-2-5-17-10(9)18-8-19-11/h2-3,5,8H,4,6-7H2,1H3
InChIKeyGYKPCTSPKTUMRV-UHFFFAOYSA-N
XLogP2.18
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 166605509
4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126873131
2-[3-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-oxopyrazin-1-yl]acetic acid
CID 166357370
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 163345177
tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate
CID 174664106
4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[2,3-d]pyrimidine
CID 126934207
methyl 2-[4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 86966526
4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126893689
8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline
CID 157041068
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine (CID 172891686) is 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine is COC1(C(F)(F)F)CCN(c2ncnc3ncccc23)C1.
What is the InChIKey of 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is GYKPCTSPKTUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-21-12(13(14,15)16)4-6-20(7-12)11-9-3-2-5-17-10(9)18-8-19-11/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine?
4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 298.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 172891686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).