7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C15H16ClN3 — CID 80952013

IUPAC7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCC(C)c1nc(Cl)cc(C2CCc3cccnc32)n1
InChIInChI=1S/C15H16ClN3/c1-9(2)15-18-12(8-13(16)19-15)11-6-5-10-4-3-7-17-14(10)11/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyQBVRERGDYVEDOI-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.73
Rot. Bonds2

About 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 80952013) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID80952013
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCC(C)c1nc(Cl)cc(C2CCc3cccnc32)n1
InChIInChI=1S/C15H16ClN3/c1-9(2)15-18-12(8-13(16)19-15)11-6-5-10-4-3-7-17-14(10)11/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyQBVRERGDYVEDOI-UHFFFAOYSA-N
XLogP3.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine 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

7-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952163
7-(6-chloro-2-propylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80945467
7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 102716446
7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 114563116
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethylpyrimidin-4-amine
CID 80936065
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpyridin-3-amine
CID 114049651
4-chloro-6-cyclopentyl-2-propan-2-ylpyrimidine
CID 112554769
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylpyridazin-3-amine
CID 79740307
4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
CID 114054131
7-(5-chloropyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 105371323
3,5-dichloro-6-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylpyridin-2-amine
CID 102753592

Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 80952013) is 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is CC(C)c1nc(Cl)cc(C2CCc3cccnc32)n1.
What is the InChIKey of 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is QBVRERGDYVEDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-9(2)15-18-12(8-13(16)19-15)11-6-5-10-4-3-7-17-14(10)11/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 273.77 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 80952013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).