1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C27H26N6O2 — CID 156855004

IUPAC1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cnc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1
InChIInChI=1S/C27H26N6O2/c1-3-32-18-22(17-29-32)30-25(34)19-15-23-24(28-16-19)31-26(33(23)4-2)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,34)
InChIKeyROSNTFSVVXEGRB-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.20
Rot. Bonds7

About 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 156855004) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID156855004
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1cc(NC(=O)c2cnc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1
InChIInChI=1S/C27H26N6O2/c1-3-32-18-22(17-29-32)30-25(34)19-15-23-24(28-16-19)31-26(33(23)4-2)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,34)
InChIKeyROSNTFSVVXEGRB-UHFFFAOYSA-N
XLogP4.20
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 156855004) is 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1cc(NC(=O)c2cnc3nc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)cn1.
What is the InChIKey of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is ROSNTFSVVXEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-32-18-22(17-29-32)30-25(34)19-15-23-24(28-16-19)31-26(33(23)4-2)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,34).
What are the key properties of 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).