(3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide

C18H16FN7O — CID 134418148

IUPAC(3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESN#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3cccc4cn[nH]c34)nn2)C1
InChIInChI=1S/C18H16FN7O/c19-18(7-2-8-26(10-18)11-20)17(27)22-15-6-5-14(23-24-15)13-4-1-3-12-9-21-25-16(12)13/h1,3-6,9H,2,7-8,10H2,(H,21,25)(H,22,24,27)/t18-/m1/s1
InChIKeyMBOGDNNCHQSLMN-GOSISDBHSA-N
MW365.37 g/mol
LogP2.24
Rot. Bonds3

About (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide

(3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 134418148) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID134418148
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name(3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESN#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3cccc4cn[nH]c34)nn2)C1
InChIInChI=1S/C18H16FN7O/c19-18(7-2-8-26(10-18)11-20)17(27)22-15-6-5-14(23-24-15)13-4-1-3-12-9-21-25-16(12)13/h1,3-6,9H,2,7-8,10H2,(H,21,25)(H,22,24,27)/t18-/m1/s1
InChIKeyMBOGDNNCHQSLMN-GOSISDBHSA-N
XLogP2.24
TPSA110.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 134418148) is (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide is N#CN1CCC[C@](F)(C(=O)Nc2ccc(-c3cccc4cn[nH]c34)nn2)C1.
What is the InChIKey of (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is MBOGDNNCHQSLMN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FN7O/c19-18(7-2-8-26(10-18)11-20)17(27)22-15-6-5-14(23-24-15)13-4-1-3-12-9-21-25-16(12)13/h1,3-6,9H,2,7-8,10H2,(H,21,25)(H,22,24,27)/t18-/m1/s1.
What are the key properties of (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide?
(3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyano-3-fluoro-N-[6-(1H-indazol-7-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 134418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).