5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C22H22N6 — CID 77095717

IUPAC5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(C2c3nc[nH]c3CCN2Cc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C22H22N6/c1-2-6-19(15-28-11-4-10-26-28)18(5-1)14-27-12-8-20-21(25-16-24-20)22(27)17-7-3-9-23-13-17/h1-7,9-11,13,16,22H,8,12,14-15H2,(H,24,25)
InChIKeyDNBDQELHOIBPMR-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.20
Rot. Bonds5

About 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 77095717) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID77095717
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1cncc(C2c3nc[nH]c3CCN2Cc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C22H22N6/c1-2-6-19(15-28-11-4-10-26-28)18(5-1)14-27-12-8-20-21(25-16-24-20)22(27)17-7-3-9-23-13-17/h1-7,9-11,13,16,22H,8,12,14-15H2,(H,24,25)
InChIKeyDNBDQELHOIBPMR-UHFFFAOYSA-N
XLogP3.20
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 77095717) is 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1cncc(C2c3nc[nH]c3CCN2Cc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DNBDQELHOIBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-2-6-19(15-28-11-4-10-26-28)18(5-1)14-27-12-8-20-21(25-16-24-20)22(27)17-7-3-9-23-13-17/h1-7,9-11,13,16,22H,8,12,14-15H2,(H,24,25).
What are the key properties of 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 370.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 77095717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).