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

C20H23N7 — CID 133412721

IUPAC2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCC(Cn5ccnn5)CC4)n2)CCC3)nc1
InChIInChI=1S/C20H23N7/c1-2-9-21-18(5-1)19-23-17-6-3-4-16(17)20(24-19)26-11-7-15(8-12-26)14-27-13-10-22-25-27/h1-2,5,9-10,13,15H,3-4,6-8,11-12,14H2
InChIKeyVGWXAHMVWWBUTM-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.54
Rot. Bonds4

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

2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 133412721) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID133412721
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCC(Cn5ccnn5)CC4)n2)CCC3)nc1
InChIInChI=1S/C20H23N7/c1-2-9-21-18(5-1)19-23-17-6-3-4-16(17)20(24-19)26-11-7-15(8-12-26)14-27-13-10-22-25-27/h1-2,5,9-10,13,15H,3-4,6-8,11-12,14H2
InChIKeyVGWXAHMVWWBUTM-UHFFFAOYSA-N
XLogP2.54
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133455675
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
N-ethyl-N-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 86806537
1-(cyclopentylmethyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133390815
cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498856
1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75372045
2-cyclopropyl-1-methyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 167968512
(5aR,8aR)-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 100574070
1-[4-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56861041
1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 157029786
2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 133309137
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166278810

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 133412721) is 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(-c2nc3c(c(N4CCC(Cn5ccnn5)CC4)n2)CCC3)nc1.
What is the InChIKey of 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is VGWXAHMVWWBUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-2-9-21-18(5-1)19-23-17-6-3-4-16(17)20(24-19)26-11-7-15(8-12-26)14-27-13-10-22-25-27/h1-2,5,9-10,13,15H,3-4,6-8,11-12,14H2.
What are the key properties of 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 361.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 133412721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).