N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide

C24H27N5O3 — CID 67230913

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccc3[nH]nc(C(=O)NC4CN5CCC4CC5)c3c2)cc1
InChIInChI=1S/C24H27N5O3/c1-32-18-5-2-15(3-6-18)12-22(30)25-17-4-7-20-19(13-17)23(28-27-20)24(31)26-21-14-29-10-8-16(21)9-11-29/h2-7,13,16,21H,8-12,14H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyPVQBLVROVLJMKM-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.58
Rot. Bonds6

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide (PubChem CID 67230913) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
PubChem CID67230913
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2ccc3[nH]nc(C(=O)NC4CN5CCC4CC5)c3c2)cc1
InChIInChI=1S/C24H27N5O3/c1-32-18-5-2-15(3-6-18)12-22(30)25-17-4-7-20-19(13-17)23(28-27-20)24(31)26-21-14-29-10-8-16(21)9-11-29/h2-7,13,16,21H,8-12,14H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyPVQBLVROVLJMKM-UHFFFAOYSA-N
XLogP2.58
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1H-indazole-3-carboxamide;hydrochloride
CID 67229737
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(hydroxyamino)-1H-indazole-3-carboxamide
CID 91108211
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxypropyl)-1H-indazole-3-carboxamide;formic acid
CID 159185497
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-oxo-2-(propylamino)ethyl]-1H-indazole-3-carboxamide;formic acid
CID 159353619
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-hydroxy-1H-indazole-3-carboxamide;hydrobromide
CID 67230292
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-cyclopropyl-2-sulfanylidenebutyl)-1H-indazole-3-carboxamide
CID 58578112
[3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]-1H-indazol-5-yl]-oxidoazanium
CID 59293315
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 16659708
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-(diethylamino)-1H-indazole-3-carboxamide;formic acid
CID 158382484
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-(difluoromethoxy)-1H-indazole-3-carboxamide
CID 11631406

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide (CID 67230913) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide is COc1ccc(CC(=O)Nc2ccc3[nH]nc(C(=O)NC4CN5CCC4CC5)c3c2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide?
The InChIKey is PVQBLVROVLJMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-32-18-5-2-15(3-6-18)12-22(30)25-17-4-7-20-19(13-17)23(28-27-20)24(31)26-21-14-29-10-8-16(21)9-11-29/h2-7,13,16,21H,8-12,14H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67230913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).