N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide

C22H26FN5O2 — CID 154970246

IUPACN-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C22H26FN5O2/c1-22(2,30)14-9-15(10-14)28-12-13-8-18(19(27(3)4)11-17(13)26-28)25-21(29)16-6-5-7-20(23)24-16/h5-8,11-12,14-15,30H,9-10H2,1-4H3,(H,25,29)
InChIKeyOIWTVAIRVZQKED-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.61
Rot. Bonds5

About N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide

N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 154970246) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide
PubChem CID154970246
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC NameN-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide
SMILESCN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C22H26FN5O2/c1-22(2,30)14-9-15(10-14)28-12-13-8-18(19(27(3)4)11-17(13)26-28)25-21(29)16-6-5-7-20(23)24-16/h5-8,11-12,14-15,30H,9-10H2,1-4H3,(H,25,29)
InChIKeyOIWTVAIRVZQKED-UHFFFAOYSA-N
XLogP3.61
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide (CID 154970246) is N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide is CN(C)c1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cccc(F)n1.
What is the InChIKey of N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is OIWTVAIRVZQKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-22(2,30)14-9-15(10-14)28-12-13-8-18(19(27(3)4)11-17(13)26-28)25-21(29)16-6-5-7-20(23)24-16/h5-8,11-12,14-15,30H,9-10H2,1-4H3,(H,25,29).
What are the key properties of N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide?
N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 154970246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).