(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide

C23H33N3O3 — CID 155449467

IUPAC(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)[C@@H]1CCCCO1
InChIInChI=1S/C23H33N3O3/c1-15(2)16-7-9-18(10-8-16)26-14-17-12-20(22(28-3)13-19(17)25-26)24-23(27)21-6-4-5-11-29-21/h12-16,18,21H,4-11H2,1-3H3,(H,24,27)/t16?,18?,21-/m0/s1
InChIKeyDZSNVTYJFQLLRF-IAYYMHMVSA-N
MW399.54 g/mol
LogP4.94
Rot. Bonds5

About (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide

(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide (PubChem CID 155449467) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
PubChem CID155449467
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)[C@@H]1CCCCO1
InChIInChI=1S/C23H33N3O3/c1-15(2)16-7-9-18(10-8-16)26-14-17-12-20(22(28-3)13-19(17)25-26)24-23(27)21-6-4-5-11-29-21/h12-16,18,21H,4-11H2,1-3H3,(H,24,27)/t16?,18?,21-/m0/s1
InChIKeyDZSNVTYJFQLLRF-IAYYMHMVSA-N
XLogP4.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]oxane-2-carboxamide
CID 163283437
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 155448904
N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methoxypyridine-3-carboxamide
CID 167156200
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
4-chloro-N-(2-cyclohexyl-6-methoxyindazol-5-yl)-1-propan-2-ylpyrazole-3-carboxamide
CID 155449171
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide?
The IUPAC name of (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide (CID 155449467) is (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide?
The canonical SMILES for (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide is COc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)[C@@H]1CCCCO1.
What is the InChIKey of (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide?
The InChIKey is DZSNVTYJFQLLRF-IAYYMHMVSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15(2)16-7-9-18(10-8-16)26-14-17-12-20(22(28-3)13-19(17)25-26)24-23(27)21-6-4-5-11-29-21/h12-16,18,21H,4-11H2,1-3H3,(H,24,27)/t16?,18?,21-/m0/s1.
What are the key properties of (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide?
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide is sourced from PubChem (CID 155449467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).