6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

C21H20F2N4O2 — CID 169120590

IUPAC6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILESO=CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C21H20F2N4O2/c22-20(23)18-2-1-3-19(25-18)21(29)24-15-6-9-17-14(10-15)11-27(26-17)16-7-4-13(12-28)5-8-16/h1-3,6,9-13,16,20H,4-5,7-8H2,(H,24,29)
InChIKeyKBENSGYGVQBCEF-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.55
Rot. Bonds5

About 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 169120590) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
PubChem CID169120590
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
SMILESO=CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)F)n4)ccc3n2)CC1
InChIInChI=1S/C21H20F2N4O2/c22-20(23)18-2-1-3-19(25-18)21(29)24-15-6-9-17-14(10-15)11-27(26-17)16-7-4-13(12-28)5-8-16/h1-3,6,9-13,16,20H,4-5,7-8H2,(H,24,29)
InChIKeyKBENSGYGVQBCEF-UHFFFAOYSA-N
XLogP4.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide (CID 169120590) is 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is O=CC1CCC(n2cc3cc(NC(=O)c4cccc(C(F)F)n4)ccc3n2)CC1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is KBENSGYGVQBCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-20(23)18-2-1-3-19(25-18)21(29)24-15-6-9-17-14(10-15)11-27(26-17)16-7-4-13(12-28)5-8-16/h1-3,6,9-13,16,20H,4-5,7-8H2,(H,24,29).
What are the key properties of 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(4-formylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169120590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).