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

C21H26N6O — CID 167127009

IUPACN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C21H26N6O/c1-21(2)8-7-14-16(10-21)25-26-17(14)19-23-15-9-13(11-22-18(15)24-19)27(3)20(28)12-5-4-6-12/h9,11-12H,4-8,10H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyHFZAEIKPUXWQKF-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.63
Rot. Bonds3

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

N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide (PubChem CID 167127009) has the molecular formula C21H26N6O and a molecular weight of 378.48 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-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide
PubChem CID167127009
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1
InChIInChI=1S/C21H26N6O/c1-21(2)8-7-14-16(10-21)25-26-17(14)19-23-15-9-13(11-22-18(15)24-19)27(3)20(28)12-5-4-6-12/h9,11-12H,4-8,10H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyHFZAEIKPUXWQKF-UHFFFAOYSA-N
XLogP3.63
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.63
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-methylcyclobutanecarboxamide?
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-methylcyclobutanecarboxamide (CID 167127009) is N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide.
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-methylcyclobutanecarboxamide?
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-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)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-methylcyclobutanecarboxamide?
The InChIKey is HFZAEIKPUXWQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-21(2)8-7-14-16(10-21)25-26-17(14)19-23-15-9-13(11-22-18(15)24-19)27(3)20(28)12-5-4-6-12/h9,11-12H,4-8,10H2,1-3H3,(H,25,26)(H,22,23,24).
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-methylcyclobutanecarboxamide?
N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.63, 3 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-methylcyclobutanecarboxamide is sourced from PubChem (CID 167127009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).