N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide

C22H30N6O — CID 164532314

IUPACN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C22H30N6O/c1-13(2)6-7-18(29)28(5)14-10-16-20(23-12-14)25-21(24-16)19-15-8-9-22(3,4)11-17(15)26-27-19/h10,12-13H,6-9,11H2,1-5H3,(H,26,27)(H,23,24,25)
InChIKeyCSEDRBONKQMHJQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide

N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide (PubChem CID 164532314) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide
PubChem CID164532314
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C22H30N6O/c1-13(2)6-7-18(29)28(5)14-10-16-20(23-12-14)25-21(24-16)19-15-8-9-22(3,4)11-17(15)26-27-19/h10,12-13H,6-9,11H2,1-5H3,(H,26,27)(H,23,24,25)
InChIKeyCSEDRBONKQMHJQ-UHFFFAOYSA-N
XLogP4.26
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide?
The IUPAC name of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide (CID 164532314) is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide?
The canonical SMILES for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1.
What is the InChIKey of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide?
The InChIKey is CSEDRBONKQMHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-13(2)6-7-18(29)28(5)14-10-16-20(23-12-14)25-21(24-16)19-15-8-9-22(3,4)11-17(15)26-27-19/h10,12-13H,6-9,11H2,1-5H3,(H,26,27)(H,23,24,25).
What are the key properties of N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide?
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide has a molecular weight of 394.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N,4-dimethylpentanamide is sourced from PubChem (CID 164532314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).