5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C23H30FN7 — CID 155372777

IUPAC5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(F)c1cc([C@@H]2CN(c3cc(N4CCCCC4)ccn3)CC[C@H]2C)n2ncnc2n1
InChIInChI=1S/C23H30FN7/c1-16-7-11-30(22-12-18(6-8-25-22)29-9-4-3-5-10-29)14-19(16)21-13-20(17(2)24)28-23-26-15-27-31(21)23/h6,8,12-13,15-17,19H,3-5,7,9-11,14H2,1-2H3/t16-,17?,19-/m1/s1
InChIKeyJFDKBRSWIONSEL-IRQCGSAXSA-N
MW423.54 g/mol
LogP4.17
Rot. Bonds4

About 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 155372777) has the molecular formula C23H30FN7 and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID155372777
Molecular FormulaC23H30FN7
Molecular Weight423.54 g/mol
Exact Mass423.25
IUPAC Name5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(F)c1cc([C@@H]2CN(c3cc(N4CCCCC4)ccn3)CC[C@H]2C)n2ncnc2n1
InChIInChI=1S/C23H30FN7/c1-16-7-11-30(22-12-18(6-8-25-22)29-9-4-3-5-10-29)14-19(16)21-13-20(17(2)24)28-23-26-15-27-31(21)23/h6,8,12-13,15-17,19H,3-5,7,9-11,14H2,1-2H3/t16-,17?,19-/m1/s1
InChIKeyJFDKBRSWIONSEL-IRQCGSAXSA-N
XLogP4.17
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 155372777) is 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CC(F)c1cc([C@@H]2CN(c3cc(N4CCCCC4)ccn3)CC[C@H]2C)n2ncnc2n1.
What is the InChIKey of 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JFDKBRSWIONSEL-IRQCGSAXSA-N. The full InChI is InChI=1S/C23H30FN7/c1-16-7-11-30(22-12-18(6-8-25-22)29-9-4-3-5-10-29)14-19(16)21-13-20(17(2)24)28-23-26-15-27-31(21)23/h6,8,12-13,15-17,19H,3-5,7,9-11,14H2,1-2H3/t16-,17?,19-/m1/s1.
What are the key properties of 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 423.54 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-7-[(3S,4R)-4-methyl-1-(4-piperidin-1-yl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155372777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).