1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide

C20H25N5O3 — CID 155438131

IUPAC1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C=CN=CC1C(N)=O
InChIInChI=1S/C20H25N5O3/c1-28-19-9-16-14(8-17(19)24-7-6-22-10-18(24)20(21)27)11-25(23-16)15-4-2-13(12-26)3-5-15/h6-11,13,15,18,26H,2-5,12H2,1H3,(H2,21,27)
InChIKeyHSFGCXJSYXWARU-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.98
Rot. Bonds5

About 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide

1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide (PubChem CID 155438131) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
PubChem CID155438131
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C=CN=CC1C(N)=O
InChIInChI=1S/C20H25N5O3/c1-28-19-9-16-14(8-17(19)24-7-6-22-10-18(24)20(21)27)11-25(23-16)15-4-2-13(12-26)3-5-15/h6-11,13,15,18,26H,2-5,12H2,1H3,(H2,21,27)
InChIKeyHSFGCXJSYXWARU-UHFFFAOYSA-N
XLogP1.98
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[4-(hydroxymethyl)cyclohexyl]-5-methoxy-1,3-benzoxazol-6-yl]-2H-pyrazine-2-carboxamide
CID 175847369
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
CID 170693376
[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
CID 162721663
1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
CID 170693360
[4-[6-methoxy-5-(5-methoxy-2H-pyridin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 169226945
[4-[6-methoxy-5-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 163362486
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
CID 169096648
5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438184
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 155437771
[4-(5-amino-6-methylindazol-2-yl)cyclohexyl]methanol
CID 170379953
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide?
The IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide (CID 155438131) is 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide is COc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C=CN=CC1C(N)=O.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide?
The InChIKey is HSFGCXJSYXWARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-28-19-9-16-14(8-17(19)24-7-6-22-10-18(24)20(21)27)11-25(23-16)15-4-2-13(12-26)3-5-15/h6-11,13,15,18,26H,2-5,12H2,1H3,(H2,21,27).
What are the key properties of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide?
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 155438131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).