N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

C23H33N5O — CID 125318592

IUPACN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2cnn(C3CCCC3)c2n1
InChIInChI=1S/C23H33N5O/c1-16-13-19(20-15-25-28(22(20)26-16)18-8-2-3-9-18)23(29)24-14-17-7-6-12-27-11-5-4-10-21(17)27/h13,15,17-18,21H,2-12,14H2,1H3,(H,24,29)/t17-,21-/m1/s1
InChIKeyPUIOPTNHALFCFL-DYESRHJHSA-N
MW395.55 g/mol
LogP3.85
Rot. Bonds4

About N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 125318592) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID125318592
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2cnn(C3CCCC3)c2n1
InChIInChI=1S/C23H33N5O/c1-16-13-19(20-15-25-28(22(20)26-16)18-8-2-3-9-18)23(29)24-14-17-7-6-12-27-11-5-4-10-21(17)27/h13,15,17-18,21H,2-12,14H2,1H3,(H,24,29)/t17-,21-/m1/s1
InChIKeyPUIOPTNHALFCFL-DYESRHJHSA-N
XLogP3.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide 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-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 125318592) is N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2cnn(C3CCCC3)c2n1.
What is the InChIKey of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PUIOPTNHALFCFL-DYESRHJHSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16-13-19(20-15-25-28(22(20)26-16)18-8-2-3-9-18)23(29)24-14-17-7-6-12-27-11-5-4-10-21(17)27/h13,15,17-18,21H,2-12,14H2,1H3,(H,24,29)/t17-,21-/m1/s1.
What are the key properties of N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 125318592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).