[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol

C22H22ClN7O — CID 171034266

IUPAC[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
SMILESCCc1c(C(O)(c2ccccc2)c2ccccn2)nc2cc(Cl)c(C3NNNN3)cn12
InChIInChI=1S/C22H22ClN7O/c1-2-17-20(22(31,14-8-4-3-5-9-14)18-10-6-7-11-24-18)25-19-12-16(23)15(13-30(17)19)21-26-28-29-27-21/h3-13,21,26-29,31H,2H2,1H3
InChIKeyCSLRCORPOWABMT-UHFFFAOYSA-N
MW435.92 g/mol
LogP2.34
Rot. Bonds5

About [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol

[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol (PubChem CID 171034266) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
PubChem CID171034266
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC Name[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol
SMILESCCc1c(C(O)(c2ccccc2)c2ccccn2)nc2cc(Cl)c(C3NNNN3)cn12
InChIInChI=1S/C22H22ClN7O/c1-2-17-20(22(31,14-8-4-3-5-9-14)18-10-6-7-11-24-18)25-19-12-16(23)15(13-30(17)19)21-26-28-29-27-21/h3-13,21,26-29,31H,2H2,1H3
InChIKeyCSLRCORPOWABMT-UHFFFAOYSA-N
XLogP2.34
TPSA98.54 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol 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 [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol?
The IUPAC name of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol (CID 171034266) is [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol.
What is the SMILES notation for [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol?
The canonical SMILES for [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol is CCc1c(C(O)(c2ccccc2)c2ccccn2)nc2cc(Cl)c(C3NNNN3)cn12.
What is the InChIKey of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol?
The InChIKey is CSLRCORPOWABMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-2-17-20(22(31,14-8-4-3-5-9-14)18-10-6-7-11-24-18)25-19-12-16(23)15(13-30(17)19)21-26-28-29-27-21/h3-13,21,26-29,31H,2H2,1H3.
What are the key properties of [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol?
[7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol has a molecular weight of 435.92 g/mol, XLogP of 2.34, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-ethyl-6-(tetrazolidin-5-yl)imidazo[1,2-a]pyridin-2-yl]-phenyl-pyridin-2-ylmethanol is sourced from PubChem (CID 171034266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).