N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide

C34H44N4O3 — CID 134562107

IUPACN-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1ccc(-c3n[nH]c4ccc(C(=O)NCC5(OC6CCCC6)CCCCC5)cc34)cc1)C2
InChIInChI=1S/C34H44N4O3/c1-38-25-12-13-26(38)21-29(20-25)40-27-14-9-23(10-15-27)32-30-19-24(11-16-31(30)36-37-32)33(39)35-22-34(17-5-2-6-18-34)41-28-7-3-4-8-28/h9-11,14-16,19,25-26,28-29H,2-8,12-13,17-18,20-22H2,1H3,(H,35,39)(H,36,37)/t25-,26+,29?
InChIKeyJEPMZHWSABSLKI-VBKBOHMUSA-N
MW556.75 g/mol
LogP6.63
Rot. Bonds8

About N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide

N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide (PubChem CID 134562107) has the molecular formula C34H44N4O3 and a molecular weight of 556.75 g/mol. Its IUPAC name is N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
PubChem CID134562107
Molecular FormulaC34H44N4O3
Molecular Weight556.75 g/mol
Exact Mass556.34
IUPAC NameN-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1ccc(-c3n[nH]c4ccc(C(=O)NCC5(OC6CCCC6)CCCCC5)cc34)cc1)C2
InChIInChI=1S/C34H44N4O3/c1-38-25-12-13-26(38)21-29(20-25)40-27-14-9-23(10-15-27)32-30-19-24(11-16-31(30)36-37-32)33(39)35-22-34(17-5-2-6-18-34)41-28-7-3-4-8-28/h9-11,14-16,19,25-26,28-29H,2-8,12-13,17-18,20-22H2,1H3,(H,35,39)(H,36,37)/t25-,26+,29?
InChIKeyJEPMZHWSABSLKI-VBKBOHMUSA-N
XLogP6.63
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-[1-(2-chlorophenyl)-2-methylpropyl]-3-[4-[[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 134562113
3-[4-[(8-methyl-4-bicyclo[5.1.0]octanyl)oxy]phenyl]-N-[(1-pyridin-3-ylcyclohexyl)methyl]-1H-indazole-5-carboxamide
CID 134567437
N-[cyclopropyl(phenyl)methyl]-3-[4-[(5-methyl-5-azatricyclo[4.2.0.01,4]octan-2-yl)oxy]phenyl]-1H-indazole-5-carboxamide
CID 123786779
3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-N-[(2-morpholin-4-ylphenyl)methyl]-1H-indazole-5-carboxamide
CID 86711000
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995
N-[(1R)-1-(3-methoxyphenyl)propyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 86711054
N-[cyclopropyl(phenyl)methyl]-3-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 126626401
3-(6-methoxynaphthalen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indazole-5-carboxamide
CID 25257366
3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide
CID 74437257
N-[(S)-hydroxy(thiophen-3-yl)methyl]-3-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]oxyphenyl]-1H-indazole-5-carboxamide
CID 134567072
6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 23728803
N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
CID 25256908

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide (CID 134562107) is N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide is CN1[C@@H]2CC[C@H]1CC(Oc1ccc(-c3n[nH]c4ccc(C(=O)NCC5(OC6CCCC6)CCCCC5)cc34)cc1)C2.
What is the InChIKey of N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is JEPMZHWSABSLKI-VBKBOHMUSA-N. The full InChI is InChI=1S/C34H44N4O3/c1-38-25-12-13-26(38)21-29(20-25)40-27-14-9-23(10-15-27)32-30-19-24(11-16-31(30)36-37-32)33(39)35-22-34(17-5-2-6-18-34)41-28-7-3-4-8-28/h9-11,14-16,19,25-26,28-29H,2-8,12-13,17-18,20-22H2,1H3,(H,35,39)(H,36,37)/t25-,26+,29?.
What are the key properties of N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide?
N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 556.75 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyloxycyclohexyl)methyl]-3-[4-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 134562107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).