[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid

C20H26N4O3 — CID 175472218

IUPAC[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(Cc1cc2cn(C3CCC(CO)CC3)nc2cc1C#N)NC(=O)O
InChIInChI=1S/C20H26N4O3/c1-20(2,22-19(26)27)9-14-7-16-11-24(23-18(16)8-15(14)10-21)17-5-3-13(12-25)4-6-17/h7-8,11,13,17,22,25H,3-6,9,12H2,1-2H3,(H,26,27)
InChIKeyAEZWBEUACXQNLT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.22
Rot. Bonds5

About [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid

[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175472218) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175472218
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(Cc1cc2cn(C3CCC(CO)CC3)nc2cc1C#N)NC(=O)O
InChIInChI=1S/C20H26N4O3/c1-20(2,22-19(26)27)9-14-7-16-11-24(23-18(16)8-15(14)10-21)17-5-3-13(12-25)4-6-17/h7-8,11,13,17,22,25H,3-6,9,12H2,1-2H3,(H,26,27)
InChIKeyAEZWBEUACXQNLT-UHFFFAOYSA-N
XLogP3.22
TPSA111.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid (CID 175472218) is [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid is CC(C)(Cc1cc2cn(C3CCC(CO)CC3)nc2cc1C#N)NC(=O)O.
What is the InChIKey of [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is AEZWBEUACXQNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,22-19(26)27)9-14-7-16-11-24(23-18(16)8-15(14)10-21)17-5-3-13(12-25)4-6-17/h7-8,11,13,17,22,25H,3-6,9,12H2,1-2H3,(H,26,27).
What are the key properties of [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid?
[1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 370.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-cyano-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175472218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).