N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

C18H24N4O — CID 10757502

IUPACN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13+,14?
InChIKeyPVLJAKPVNWWVDA-PBWFPOADSA-N
MW312.42 g/mol
LogP2.63
Rot. Bonds3

About N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10757502) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID10757502
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13+,14?
InChIKeyPVLJAKPVNWWVDA-PBWFPOADSA-N
XLogP2.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 10757502) is N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3)c2ccccc21.
What is the InChIKey of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is PVLJAKPVNWWVDA-PBWFPOADSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13+,14?.
What are the key properties of N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10757502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).