[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid

C23H26N6O5 — CID 146443634

IUPAC[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NC4CCCC(NC(=O)O)C4)c3)ccc12
InChIInChI=1S/C23H26N6O5/c1-24-21(31)19-16-7-6-12(9-18(16)28-29-19)13-8-17(22(34-2)25-11-13)20(30)26-14-4-3-5-15(10-14)27-23(32)33/h6-9,11,14-15,27H,3-5,10H2,1-2H3,(H,24,31)(H,26,30)(H,28,29)(H,32,33)
InChIKeyFCHXGJKHECZNTG-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.30
Rot. Bonds6

About [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid

[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (PubChem CID 146443634) has the molecular formula C23H26N6O5 and a molecular weight of 466.50 g/mol. Its IUPAC name is [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
PubChem CID146443634
Molecular FormulaC23H26N6O5
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NC4CCCC(NC(=O)O)C4)c3)ccc12
InChIInChI=1S/C23H26N6O5/c1-24-21(31)19-16-7-6-12(9-18(16)28-29-19)13-8-17(22(34-2)25-11-13)20(30)26-14-4-3-5-15(10-14)27-23(32)33/h6-9,11,14-15,27H,3-5,10H2,1-2H3,(H,24,31)(H,26,30)(H,28,29)(H,32,33)
InChIKeyFCHXGJKHECZNTG-UHFFFAOYSA-N
XLogP2.30
TPSA158.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid with MolForge

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Related Compounds

6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041450
N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041463
3-[[5-[3-(deuteriomethylcarbamoyl)-1H-indazol-6-yl]-2-methoxypyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 175819792
6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041334
6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041487
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
tert-butyl 3-[[2-(deuteriomethoxy)-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]-2,2-dimethylpropanoate
CID 166041477
tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate
CID 172553359
N-cyclopropyl-6-[6-(trideuteriomethoxy)-5-[[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664738
6-[5-[[(3R,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide
CID 166041454
N-methyl-6-[6-(trideuteriomethoxy)-5-[[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664699
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-6-[6-methoxy-5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041473

Frequently Asked Questions

What is the IUPAC name of [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid (CID 146443634) is [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is CNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(C(=O)NC4CCCC(NC(=O)O)C4)c3)ccc12.
What is the InChIKey of [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
The InChIKey is FCHXGJKHECZNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5/c1-24-21(31)19-16-7-6-12(9-18(16)28-29-19)13-8-17(22(34-2)25-11-13)20(30)26-14-4-3-5-15(10-14)27-23(32)33/h6-9,11,14-15,27H,3-5,10H2,1-2H3,(H,24,31)(H,26,30)(H,28,29)(H,32,33).
What are the key properties of [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid?
[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid has a molecular weight of 466.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 146443634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).