N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

C30H47N5O2 — CID 70694780

IUPACN-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCOC[C@@H]1CCCN1CCCCCCN1[C@@H]2CC[C@H]1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2
InChIInChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23?,24-,25+,26-/m0/s1
InChIKeyVOPUYPPXVMIQOA-VGPBXHGJSA-N
MW509.74 g/mol
LogP5.01
Rot. Bonds12

About N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide

N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 70694780) has the molecular formula C30H47N5O2 and a molecular weight of 509.74 g/mol. Its IUPAC name is N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID70694780
Molecular FormulaC30H47N5O2
Molecular Weight509.74 g/mol
Exact Mass509.37
IUPAC NameN-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCOC[C@@H]1CCCN1CCCCCCN1[C@@H]2CC[C@H]1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2
InChIInChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23?,24-,25+,26-/m0/s1
InChIKeyVOPUYPPXVMIQOA-VGPBXHGJSA-N
XLogP5.01
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide (CID 70694780) is N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is COC[C@@H]1CCCN1CCCCCCN1[C@@H]2CC[C@H]1CC(NC(=O)c1nn(C(C)C)c3ccccc13)C2.
What is the InChIKey of N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is VOPUYPPXVMIQOA-VGPBXHGJSA-N. The full InChI is InChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23?,24-,25+,26-/m0/s1.
What are the key properties of N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 509.74 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hexyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 70694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).