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

C21H24N6 — CID 166278810

IUPAC4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1cncc(-c2nc3c(c(N4CCC(Cn5ccnc5)CC4)n2)CCC3)c1
InChIInChI=1S/C21H24N6/c1-4-18-19(5-1)24-20(17-3-2-8-22-13-17)25-21(18)27-10-6-16(7-11-27)14-26-12-9-23-15-26/h2-3,8-9,12-13,15-16H,1,4-7,10-11,14H2
InChIKeyROFYGWXRHOAEHF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.14
Rot. Bonds4

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

4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 166278810) has the molecular formula C21H24N6 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID166278810
Molecular FormulaC21H24N6
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1cncc(-c2nc3c(c(N4CCC(Cn5ccnc5)CC4)n2)CCC3)c1
InChIInChI=1S/C21H24N6/c1-4-18-19(5-1)24-20(17-3-2-8-22-13-17)25-21(18)27-10-6-16(7-11-27)14-26-12-9-23-15-26/h2-3,8-9,12-13,15-16H,1,4-7,10-11,14H2
InChIKeyROFYGWXRHOAEHF-UHFFFAOYSA-N
XLogP3.14
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

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-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634
(3R)-N-(3-imidazol-1-ylpropyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 42518410
1-[2-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]ethyl]piperidin-4-ol
CID 166235546
2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133412721
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166225591
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
(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
[3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 56719233
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945071
N,N-diethyl-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 42591308
ethyl 1-(2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 5261006

Frequently Asked Questions

What is the IUPAC name of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 166278810) is 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1cncc(-c2nc3c(c(N4CCC(Cn5ccnc5)CC4)n2)CCC3)c1.
What is the InChIKey of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is ROFYGWXRHOAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-4-18-19(5-1)24-20(17-3-2-8-22-13-17)25-21(18)27-10-6-16(7-11-27)14-26-12-9-23-15-26/h2-3,8-9,12-13,15-16H,1,4-7,10-11,14H2.
What are the key properties of 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 360.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 166278810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).