4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H16F6N4 — CID 86966525

IUPAC4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)C1(C(F)(F)F)CCN(c2nc(-c3ccncc3)nc3c2CCC3)C1
InChIInChI=1S/C18H16F6N4/c19-17(20,21)16(18(22,23)24)6-9-28(10-16)15-12-2-1-3-13(12)26-14(27-15)11-4-7-25-8-5-11/h4-5,7-8H,1-3,6,9-10H2
InChIKeyBNURYLUSLHLYSZ-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.35
Rot. Bonds2

About 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 86966525) has the molecular formula C18H16F6N4 and a molecular weight of 402.34 g/mol. Its IUPAC name is 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID86966525
Molecular FormulaC18H16F6N4
Molecular Weight402.34 g/mol
Exact Mass402.13
IUPAC Name4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)C1(C(F)(F)F)CCN(c2nc(-c3ccncc3)nc3c2CCC3)C1
InChIInChI=1S/C18H16F6N4/c19-17(20,21)16(18(22,23)24)6-9-28(10-16)15-12-2-1-3-13(12)26-14(27-15)11-4-7-25-8-5-11/h4-5,7-8H,1-3,6,9-10H2
InChIKeyBNURYLUSLHLYSZ-UHFFFAOYSA-N
XLogP4.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[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-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
4-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]benzamide
CID 133307482
2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2-oxazolidine
CID 75484714
(9aS)-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 100897294
6-methyl-2-pyridin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5126453
5-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4,6-dihydrofuro[2,3-c]pyrrole-3-carboxylic acid
CID 167745121
(3aS,6aR)-1-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 166249381
3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 167755190
3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326212
5,8-dimethoxy-2-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 86884084
2-(4-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353
2-(furan-2-yl)-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 133347022

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 86966525) is 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC(F)(F)C1(C(F)(F)F)CCN(c2nc(-c3ccncc3)nc3c2CCC3)C1.
What is the InChIKey of 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is BNURYLUSLHLYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4/c19-17(20,21)16(18(22,23)24)6-9-28(10-16)15-12-2-1-3-13(12)26-14(27-15)11-4-7-25-8-5-11/h4-5,7-8H,1-3,6,9-10H2.
What are the key properties of 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 402.34 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 86966525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).