N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide

C18H17FN4O2 — CID 169172961

IUPACN-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1c(C)nc(OC)c(-c2ccc3c(F)[nH]nc3c2)c1C
InChIInChI=1S/C18H17FN4O2/c1-5-14(24)21-16-9(2)15(18(25-4)20-10(16)3)11-6-7-12-13(8-11)22-23-17(12)19/h5-8H,1H2,2-4H3,(H,21,24)(H,22,23)
InChIKeyTYGAVSBJPYLFCB-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.51
Rot. Bonds4

About N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide

N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide (PubChem CID 169172961) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide
PubChem CID169172961
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1c(C)nc(OC)c(-c2ccc3c(F)[nH]nc3c2)c1C
InChIInChI=1S/C18H17FN4O2/c1-5-14(24)21-16-9(2)15(18(25-4)20-10(16)3)11-6-7-12-13(8-11)22-23-17(12)19/h5-8H,1H2,2-4H3,(H,21,24)(H,22,23)
InChIKeyTYGAVSBJPYLFCB-UHFFFAOYSA-N
XLogP3.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide (CID 169172961) is N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1c(C)nc(OC)c(-c2ccc3c(F)[nH]nc3c2)c1C.
What is the InChIKey of N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide?
The InChIKey is TYGAVSBJPYLFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-5-14(24)21-16-9(2)15(18(25-4)20-10(16)3)11-6-7-12-13(8-11)22-23-17(12)19/h5-8H,1H2,2-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide?
N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide has a molecular weight of 340.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 169172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).