1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

C28H34N4O3 — CID 67846066

IUPAC1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
SMILESCOc1ccccc1CN1[C@@H]2COC[C@H]1CC(NC(=O)c1nn(C3CCCC3)c3ccccc13)C2
InChIInChI=1S/C28H34N4O3/c1-34-26-13-7-2-8-19(26)16-31-22-14-20(15-23(31)18-35-17-22)29-28(33)27-24-11-5-6-12-25(24)32(30-27)21-9-3-4-10-21/h2,5-8,11-13,20-23H,3-4,9-10,14-18H2,1H3,(H,29,33)/t20?,22-,23+
InChIKeyGPJXPCGWYCILSJ-BRTIRZTQSA-N
MW474.61 g/mol
LogP4.32
Rot. Bonds6

About 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide

1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide (PubChem CID 67846066) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
PubChem CID67846066
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
SMILESCOc1ccccc1CN1[C@@H]2COC[C@H]1CC(NC(=O)c1nn(C3CCCC3)c3ccccc13)C2
InChIInChI=1S/C28H34N4O3/c1-34-26-13-7-2-8-19(26)16-31-22-14-20(15-23(31)18-35-17-22)29-28(33)27-24-11-5-6-12-25(24)32(30-27)21-9-3-4-10-21/h2,5-8,11-13,20-23H,3-4,9-10,14-18H2,1H3,(H,29,33)/t20?,22-,23+
InChIKeyGPJXPCGWYCILSJ-BRTIRZTQSA-N
XLogP4.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide with MolForge

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Related Compounds

N-[9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-prop-2-enylindazole-3-carboxamide
CID 67845997
1-cyclopropyl-N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846044
2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-methylindazole-3-carboxamide
CID 67845877
2-fluoro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813977
N-[9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-[(E)-prop-1-enyl]indazole-3-carboxamide
CID 139648324
3-chloro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218228
3-chloro-N-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467226
1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846101
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-[(E)-prop-1-enyl]indazole-3-carboxamide
CID 139648322
N-[9-[(4-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-prop-1-enylindazole-3-carboxamide
CID 67845979
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1-cyclopentylindazole-3-carboxamide
CID 10670346

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide (CID 67846066) is 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide is COc1ccccc1CN1[C@@H]2COC[C@H]1CC(NC(=O)c1nn(C3CCCC3)c3ccccc13)C2.
What is the InChIKey of 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
The InChIKey is GPJXPCGWYCILSJ-BRTIRZTQSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-34-26-13-7-2-8-19(26)16-31-22-14-20(15-23(31)18-35-17-22)29-28(33)27-24-11-5-6-12-25(24)32(30-27)21-9-3-4-10-21/h2,5-8,11-13,20-23H,3-4,9-10,14-18H2,1H3,(H,29,33)/t20?,22-,23+.
What are the key properties of 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide?
1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1R,5S)-9-[(2-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide is sourced from PubChem (CID 67846066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).