3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

C23H27FN4O2 — CID 155448904

IUPAC3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ncccc1F
InChIInChI=1S/C23H27FN4O2/c1-14(2)15-6-8-17(9-7-15)28-13-16-11-20(21(30-3)12-19(16)27-28)26-23(29)22-18(24)5-4-10-25-22/h4-5,10-15,17H,6-9H2,1-3H3,(H,26,29)
InChIKeyAXTYJGGWQZAHEJ-UHFFFAOYSA-N
MW410.49 g/mol
LogP5.22
Rot. Bonds5

About 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 155448904) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID155448904
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ncccc1F
InChIInChI=1S/C23H27FN4O2/c1-14(2)15-6-8-17(9-7-15)28-13-16-11-20(21(30-3)12-19(16)27-28)26-23(29)22-18(24)5-4-10-25-22/h4-5,10-15,17H,6-9H2,1-3H3,(H,26,29)
InChIKeyAXTYJGGWQZAHEJ-UHFFFAOYSA-N
XLogP5.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240266
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]-5-(trifluoromethyl)benzamide
CID 163400249
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
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]pyrimidine-4-carboxamide
CID 155448826
N-[2-[4-(diiodomethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2-(trifluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 155448855
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (CID 155448904) is 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is COc1cc2nn(C3CCC(C(C)C)CC3)cc2cc1NC(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is AXTYJGGWQZAHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14(2)15-6-8-17(9-7-15)28-13-16-11-20(21(30-3)12-19(16)27-28)26-23(29)22-18(24)5-4-10-25-22/h4-5,10-15,17H,6-9H2,1-3H3,(H,26,29).
What are the key properties of 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155448904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).