methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate

C18H18N4O3 — CID 91376101

IUPACmethylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCNOC(=O)C=C(c1ccc2c(OC)n[nH]c2c1)c1cccc(C)n1
InChIInChI=1S/C18H18N4O3/c1-11-5-4-6-15(20-11)14(10-17(23)25-19-2)12-7-8-13-16(9-12)21-22-18(13)24-3/h4-10,19H,1-3H3,(H,21,22)
InChIKeyHJMBGGZGJKLYTH-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.38
Rot. Bonds5

About methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate

methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (PubChem CID 91376101) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
PubChem CID91376101
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Namemethylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCNOC(=O)C=C(c1ccc2c(OC)n[nH]c2c1)c1cccc(C)n1
InChIInChI=1S/C18H18N4O3/c1-11-5-4-6-15(20-11)14(10-17(23)25-19-2)12-7-8-13-16(9-12)21-22-18(13)24-3/h4-10,19H,1-3H3,(H,21,22)
InChIKeyHJMBGGZGJKLYTH-UHFFFAOYSA-N
XLogP2.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 46963064
1-(2-methoxy-7-methylquinolin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 46981873
6-(6-methoxy-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877384
7-fluoro-3-[2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazol-5-amine
CID 68927326
(E)-3-[4-[(E)-2-cyclobutyl-1-(3-fluoro-2H-indazol-5-yl)-2-(6-methoxy-2-methyl-3-pyridinyl)ethenyl]phenyl]prop-2-enoic acid
CID 71747876
(E)-3-[4-[(E)-2-cyclobutyl-1-(3-fluoro-2H-indazol-5-yl)-2-(6-methoxy-2-pyridinyl)ethenyl]phenyl]prop-2-enoic acid
CID 89810929
(E)-3-[4-[(E)-2-cyclobutyl-1-(3-fluoro-2H-indazol-4-yl)-2-(6-methoxy-2-pyridinyl)ethenyl]phenyl]prop-2-enoic acid
CID 89811042
(E)-3-[4-[(E)-1-(3-fluoro-2H-indazol-4-yl)-2-(6-methoxy-4-methyl-3-pyridinyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 89820077
(E)-3-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-(6-methoxy-2-methyl-3-pyridinyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 118007446
3-[4-[1-(3-fluoro-2H-indazol-5-yl)-2-(6-methoxy-2-methyl-3-pyridinyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 154070847
N-[5-(3-fluoro-2H-indazol-6-yl)-6-methoxy-2,4-dimethyl-3-pyridinyl]prop-2-enamide
CID 169172961
(E)-3-(3,5-difluoro-2H-indazol-6-yl)-N-(6-methoxy-2,4-dimethyl-3-pyridinyl)prop-2-enamide
CID 169172977

Frequently Asked Questions

What is the IUPAC name of methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (CID 91376101) is methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is CNOC(=O)C=C(c1ccc2c(OC)n[nH]c2c1)c1cccc(C)n1.
What is the InChIKey of methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The InChIKey is HJMBGGZGJKLYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-5-4-6-15(20-11)14(10-17(23)25-19-2)12-7-8-13-16(9-12)21-22-18(13)24-3/h4-10,19H,1-3H3,(H,21,22).
What are the key properties of methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate has a molecular weight of 338.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 3-(3-methoxy-1H-indazol-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 91376101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).