5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine

C17H19N5 — CID 95828115

IUPAC5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine
SMILESc1cc(CN2CCC[C@H](c3ccnc4nccn34)C2)ccn1
InChIInChI=1S/C17H19N5/c1-2-15(16-5-8-19-17-20-9-11-22(16)17)13-21(10-1)12-14-3-6-18-7-4-14/h3-9,11,15H,1-2,10,12-13H2/t15-/m0/s1
InChIKeyLXAVOKATFPROSI-HNNXBMFYSA-N
MW293.37 g/mol
LogP2.50
Rot. Bonds3

About 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine

5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine (PubChem CID 95828115) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine
PubChem CID95828115
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine
SMILESc1cc(CN2CCC[C@H](c3ccnc4nccn34)C2)ccn1
InChIInChI=1S/C17H19N5/c1-2-15(16-5-8-19-17-20-9-11-22(16)17)13-21(10-1)12-14-3-6-18-7-4-14/h3-9,11,15H,1-2,10,12-13H2/t15-/m0/s1
InChIKeyLXAVOKATFPROSI-HNNXBMFYSA-N
XLogP2.50
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 110213955
4-[[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97210700
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
4-[[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 97149770
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine (CID 95828115) is 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine is c1cc(CN2CCC[C@H](c3ccnc4nccn34)C2)ccn1.
What is the InChIKey of 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is LXAVOKATFPROSI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-15(16-5-8-19-17-20-9-11-22(16)17)13-21(10-1)12-14-3-6-18-7-4-14/h3-9,11,15H,1-2,10,12-13H2/t15-/m0/s1.
What are the key properties of 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine?
5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 95828115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).