(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

C22H23FN6O2 — CID 158825810

IUPAC(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCn1cnc(C2=C(C#N)c3c(N4CCN(C(=O)OC5CC(F)C5)CC4)ccnc3C2)c1
InChIInChI=1S/C22H23FN6O2/c1-27-12-19(26-13-27)16-10-18-21(17(16)11-24)20(2-3-25-18)28-4-6-29(7-5-28)22(30)31-15-8-14(23)9-15/h2-3,12-15H,4-10H2,1H3
InChIKeyIWLDMLLCFYYTJT-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.56
Rot. Bonds3

About (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate

(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (PubChem CID 158825810) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
PubChem CID158825810
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate
SMILESCn1cnc(C2=C(C#N)c3c(N4CCN(C(=O)OC5CC(F)C5)CC4)ccnc3C2)c1
InChIInChI=1S/C22H23FN6O2/c1-27-12-19(26-13-27)16-10-18-21(17(16)11-24)20(2-3-25-18)28-4-6-29(7-5-28)22(30)31-15-8-14(23)9-15/h2-3,12-15H,4-10H2,1H3
InChIKeyIWLDMLLCFYYTJT-UHFFFAOYSA-N
XLogP2.56
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-imidazol-1-yl]-piperidine-1-carboxylic acid ethyl ester
CID 15407403
methyl N-[4-[6-(4-cyanophenyl)-8-[4-(dimethylamino)piperidin-1-yl]imidazo[1,5-a]pyrazin-5-yl]-2-fluorophenyl]-N-methylcarbamate
CID 118653054
tert-butyl N-[5-(3-cyanopyrrol-1-yl)pyrimidin-2-yl]-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]carbamate
CID 68232218
1-(1-Ethoxycarbonyl-4-piperidinyl)-4-(4-fluorophenyl)-5-{2-(methylamino)-4-pyrimidinyl)imidazole
CID 15407402
Tert-butyl 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]piperidine-1-carboxylate
CID 15512581
1-Tert-butoxycarbonyl-4-[2-(1-(4-cyano-3-fluorobenzyl)-5-imidazolyl)ethyl]piperazine
CID 18536174
Tert-butyl 4-[4-(4-fluorophenyl)-5-(2-propan-2-yloxypyrimidin-4-yl)imidazol-1-yl]piperidine-1-carboxylate
CID 22006932
Tert-butyl 4-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
CID 22006934
Tert-butyl 4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]piperidine-1-carboxylate
CID 22464166
tert-Butyl 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl]azetidine-1-carboxylate
CID 57461719
tert-Butyl 3-[5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl]pyrrolidine-1-carboxylate
CID 57461720
tert-Butyl 3-[4-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-imidazol-1-yl]pyrrolidine-1-carboxylate
CID 57461722

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The IUPAC name of (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate (CID 158825810) is (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is Cn1cnc(C2=C(C#N)c3c(N4CCN(C(=O)OC5CC(F)C5)CC4)ccnc3C2)c1.
What is the InChIKey of (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
The InChIKey is IWLDMLLCFYYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-27-12-19(26-13-27)16-10-18-21(17(16)11-24)20(2-3-25-18)28-4-6-29(7-5-28)22(30)31-15-8-14(23)9-15/h2-3,12-15H,4-10H2,1H3.
What are the key properties of (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate?
(3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate has a molecular weight of 422.46 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl) 4-[5-cyano-6-(1-methylimidazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 158825810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).