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

C19H22FN5O2 — CID 169226963

IUPAC1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide
SMILESNC(=O)C1C=NC=CN1c1cc2cn(C3CCC(CO)CC3)nc2cc1F
InChIInChI=1S/C19H22FN5O2/c20-15-8-16-13(7-17(15)24-6-5-22-9-18(24)19(21)27)10-25(23-16)14-3-1-12(11-26)2-4-14/h5-10,12,14,18,26H,1-4,11H2,(H2,21,27)
InChIKeyBPJQPLHXXPHWRN-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.11
Rot. Bonds4

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

1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide (PubChem CID 169226963) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide
PubChem CID169226963
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide
SMILESNC(=O)C1C=NC=CN1c1cc2cn(C3CCC(CO)CC3)nc2cc1F
InChIInChI=1S/C19H22FN5O2/c20-15-8-16-13(7-17(15)24-6-5-22-9-18(24)19(21)27)10-25(23-16)14-3-1-12(11-26)2-4-14/h5-10,12,14,18,26H,1-4,11H2,(H2,21,27)
InChIKeyBPJQPLHXXPHWRN-UHFFFAOYSA-N
XLogP2.11
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide?
The IUPAC name of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide (CID 169226963) is 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide.
What is the SMILES notation for 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide?
The canonical SMILES for 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide is NC(=O)C1C=NC=CN1c1cc2cn(C3CCC(CO)CC3)nc2cc1F.
What is the InChIKey of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide?
The InChIKey is BPJQPLHXXPHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c20-15-8-16-13(7-17(15)24-6-5-22-9-18(24)19(21)27)10-25(23-16)14-3-1-12(11-26)2-4-14/h5-10,12,14,18,26H,1-4,11H2,(H2,21,27).
What are the key properties of 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide?
1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2H-pyrazine-2-carboxamide is sourced from PubChem (CID 169226963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).