4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H20N6 — CID 56863784

IUPAC4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(CN2CCc3[nH]cnc3C2c2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C21H20N6/c1-5-17(12-18(6-1)27-10-3-9-25-27)21-20-19(23-15-24-20)7-11-26(21)14-16-4-2-8-22-13-16/h1-6,8-10,12-13,15,21H,7,11,14H2,(H,23,24)
InChIKeyPSIZOBURGOIPLM-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.14
Rot. Bonds4

About 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 56863784) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID56863784
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(CN2CCc3[nH]cnc3C2c2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C21H20N6/c1-5-17(12-18(6-1)27-10-3-9-25-27)21-20-19(23-15-24-20)7-11-26(21)14-16-4-2-8-22-13-16/h1-6,8-10,12-13,15,21H,7,11,14H2,(H,23,24)
InChIKeyPSIZOBURGOIPLM-UHFFFAOYSA-N
XLogP3.14
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 56863784) is 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cncc(CN2CCc3[nH]cnc3C2c2cccc(-n3cccn3)c2)c1.
What is the InChIKey of 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PSIZOBURGOIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-5-17(12-18(6-1)27-10-3-9-25-27)21-20-19(23-15-24-20)7-11-26(21)14-16-4-2-8-22-13-16/h1-6,8-10,12-13,15,21H,7,11,14H2,(H,23,24).
What are the key properties of 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 356.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 56863784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).