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

C18H21F2N5 — CID 166225634

IUPAC4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)CN1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1
InChIInChI=1S/C18H21F2N5/c19-16(20)12-24-7-9-25(10-8-24)18-14-4-1-5-15(14)22-17(23-18)13-3-2-6-21-11-13/h2-3,6,11,16H,1,4-5,7-10,12H2
InChIKeyARRGDTBJAGALPC-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.41
Rot. Bonds4

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

4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 166225634) has the molecular formula C18H21F2N5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID166225634
Molecular FormulaC18H21F2N5
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)CN1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1
InChIInChI=1S/C18H21F2N5/c19-16(20)12-24-7-9-25(10-8-24)18-14-4-1-5-15(14)22-17(23-18)13-3-2-6-21-11-13/h2-3,6,11,16H,1,4-5,7-10,12H2
InChIKeyARRGDTBJAGALPC-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 86934748
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166278810
4-ethyl-2-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole
CID 166225649
4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 5261004
[4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 133349146
2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25385316
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25378321
3-(2-methoxyethyl)-1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 167755190
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
(3aS,6aR)-2-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063361

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 166225634) is 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC(F)CN1CCN(c2nc(-c3cccnc3)nc3c2CCC3)CC1.
What is the InChIKey of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ARRGDTBJAGALPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5/c19-16(20)12-24-7-9-25(10-8-24)18-14-4-1-5-15(14)22-17(23-18)13-3-2-6-21-11-13/h2-3,6,11,16H,1,4-5,7-10,12H2.
What are the key properties of 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 345.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 166225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).