N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C22H33Cl2N5O — CID 119459503

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CC4CCC(C3)N4)c12.Cl.Cl
InChIInChI=1S/C22H31N5O.2ClH/c1-12-19-17(21(28)24-16-9-14-7-8-15(10-16)23-14)11-18(13-5-6-13)25-20(19)27(26-12)22(2,3)4;;/h11,13-16,23H,5-10H2,1-4H3,(H,24,28);2*1H
InChIKeyCGKPCQUFLRWSJD-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.23
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119459503) has the molecular formula C22H33Cl2N5O and a molecular weight of 454.45 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
PubChem CID119459503
Molecular FormulaC22H33Cl2N5O
Molecular Weight454.45 g/mol
Exact Mass453.21
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
SMILESCc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CC4CCC(C3)N4)c12.Cl.Cl
InChIInChI=1S/C22H31N5O.2ClH/c1-12-19-17(21(28)24-16-9-14-7-8-15(10-16)23-14)11-18(13-5-6-13)25-20(19)27(26-12)22(2,3)4;;/h11,13-16,23H,5-10H2,1-4H3,(H,24,28);2*1H
InChIKeyCGKPCQUFLRWSJD-UHFFFAOYSA-N
XLogP4.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride 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 N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119459503) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CC4CCC(C3)N4)c12.Cl.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is CGKPCQUFLRWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O.2ClH/c1-12-19-17(21(28)24-16-9-14-7-8-15(10-16)23-14)11-18(13-5-6-13)25-20(19)27(26-12)22(2,3)4;;/h11,13-16,23H,5-10H2,1-4H3,(H,24,28);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 454.45 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119459503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).