N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide

C23H27IN4O3 — CID 167156200

IUPACN-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cc3cn(C4CCC(C(C)I)CC4)nc3cc2OC)c1
InChIInChI=1S/C23H27IN4O3/c1-14(24)15-4-6-18(7-5-15)28-13-17-9-21(22(31-3)10-20(17)27-28)26-23(29)16-8-19(30-2)12-25-11-16/h8-15,18H,4-7H2,1-3H3,(H,26,29)
InChIKeyWPQBDTJBSUGJOF-UHFFFAOYSA-N
MW534.40 g/mol
LogP5.26
Rot. Bonds6

About N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide

N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide (PubChem CID 167156200) has the molecular formula C23H27IN4O3 and a molecular weight of 534.40 g/mol. Its IUPAC name is N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
PubChem CID167156200
Molecular FormulaC23H27IN4O3
Molecular Weight534.40 g/mol
Exact Mass534.11
IUPAC NameN-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cc3cn(C4CCC(C(C)I)CC4)nc3cc2OC)c1
InChIInChI=1S/C23H27IN4O3/c1-14(24)15-4-6-18(7-5-15)28-13-17-9-21(22(31-3)10-20(17)27-28)26-23(29)16-8-19(30-2)12-25-11-16/h8-15,18H,4-7H2,1-3H3,(H,26,29)
InChIKeyWPQBDTJBSUGJOF-UHFFFAOYSA-N
XLogP5.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 155449126
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733
N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 155448924
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
CID 155449171

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide (CID 167156200) is N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide is COc1cncc(C(=O)Nc2cc3cn(C4CCC(C(C)I)CC4)nc3cc2OC)c1.
What is the InChIKey of N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide?
The InChIKey is WPQBDTJBSUGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27IN4O3/c1-14(24)15-4-6-18(7-5-15)28-13-17-9-21(22(31-3)10-20(17)27-28)26-23(29)16-8-19(30-2)12-25-11-16/h8-15,18H,4-7H2,1-3H3,(H,26,29).
What are the key properties of N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide?
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide has a molecular weight of 534.40 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 167156200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).