N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide

C29H38N4O3 — CID 67673003

IUPACN-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide
SMILESCCCCN1[C@@H]2COC[C@H]1CC(NC(=O)c1nn(C(C)C)c3c(OCc4ccccc4)cccc13)C2
InChIInChI=1S/C29H38N4O3/c1-4-5-14-32-23-15-22(16-24(32)19-35-18-23)30-29(34)27-25-12-9-13-26(28(25)33(31-27)20(2)3)36-17-21-10-7-6-8-11-21/h6-13,20,22-24H,4-5,14-19H2,1-3H3,(H,30,34)/t22?,23-,24+
InChIKeyKFLZUJAHTFFQQE-CWAQXLGLSA-N
MW490.65 g/mol
LogP4.96
Rot. Bonds9

About N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide

N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide (PubChem CID 67673003) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide
PubChem CID67673003
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide
SMILESCCCCN1[C@@H]2COC[C@H]1CC(NC(=O)c1nn(C(C)C)c3c(OCc4ccccc4)cccc13)C2
InChIInChI=1S/C29H38N4O3/c1-4-5-14-32-23-15-22(16-24(32)19-35-18-23)30-29(34)27-25-12-9-13-26(28(25)33(31-27)20(2)3)36-17-21-10-7-6-8-11-21/h6-13,20,22-24H,4-5,14-19H2,1-3H3,(H,30,34)/t22?,23-,24+
InChIKeyKFLZUJAHTFFQQE-CWAQXLGLSA-N
XLogP4.96
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-butan-2-yl]-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-7-hydroxyindazole-3-carboxamide
CID 67672946
1-[(2S)-butan-2-yl]-N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67673528
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(2-methylpropyl)indazole-3-carboxamide
CID 67671600
N-[(1S,5R)-9-(2-methylpropyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide
CID 67767241
N-[(1R,5S)-8-(2,2-dimethoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67444536
N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-methylindazole-3-carboxamide
CID 67845877
N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846066
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 10834269
1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846044
N-[8-[2-hydroxy-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67337795
N-[9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-prop-2-enylindazole-3-carboxamide
CID 67845997

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide (CID 67673003) is N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide is CCCCN1[C@@H]2COC[C@H]1CC(NC(=O)c1nn(C(C)C)c3c(OCc4ccccc4)cccc13)C2.
What is the InChIKey of N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is KFLZUJAHTFFQQE-CWAQXLGLSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-4-5-14-32-23-15-22(16-24(32)19-35-18-23)30-29(34)27-25-12-9-13-26(28(25)33(31-27)20(2)3)36-17-21-10-7-6-8-11-21/h6-13,20,22-24H,4-5,14-19H2,1-3H3,(H,30,34)/t22?,23-,24+.
What are the key properties of N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide?
N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-7-phenylmethoxy-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 67673003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).