1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one

C27H32N4O2 — CID 71039149

IUPAC1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one
SMILESCCCN(CC)CCn1ncc2cc(-n3ccc(-c4ccc(OC)cc4C)cc3=O)ccc21
InChIInChI=1S/C27H32N4O2/c1-5-12-29(6-2)14-15-31-26-10-7-23(17-22(26)19-28-31)30-13-11-21(18-27(30)32)25-9-8-24(33-4)16-20(25)3/h7-11,13,16-19H,5-6,12,14-15H2,1-4H3
InChIKeyXLVXZZJTFVZDCN-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.90
Rot. Bonds9

About 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one

1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one (PubChem CID 71039149) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one
PubChem CID71039149
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one
SMILESCCCN(CC)CCn1ncc2cc(-n3ccc(-c4ccc(OC)cc4C)cc3=O)ccc21
InChIInChI=1S/C27H32N4O2/c1-5-12-29(6-2)14-15-31-26-10-7-23(17-22(26)19-28-31)30-13-11-21(18-27(30)32)25-9-8-24(33-4)16-20(25)3/h7-11,13,16-19H,5-6,12,14-15H2,1-4H3
InChIKeyXLVXZZJTFVZDCN-UHFFFAOYSA-N
XLogP4.90
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11270984
2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11351174
MCH-1 antagonist 1
CID 24857598
4-(benzyloxy)-1-(1-(2-(dimethylamino)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25057388
4-(Benzyloxy)-1-(1-(2-morpholinoethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25057645
(S)-4-(benzyloxy)-1-(1-(2-(3-methoxypyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25057911
4-(benzyloxy)-1-(1-((1-methyl-4,5-dihydro-1H-imidazol-2-yl)methyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25057913
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethoxy)phenyl)pyridin-2(1H)-one
CID 25205320
4-(4-chloro-2-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205827
4-(2-fluoro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206298
4-(2-chloro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206454
4-(2-methyl-4-(trifluoromethoxy)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206612

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one?
The IUPAC name of 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one (CID 71039149) is 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one?
The canonical SMILES for 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one is CCCN(CC)CCn1ncc2cc(-n3ccc(-c4ccc(OC)cc4C)cc3=O)ccc21.
What is the InChIKey of 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one?
The InChIKey is XLVXZZJTFVZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-5-12-29(6-2)14-15-31-26-10-7-23(17-22(26)19-28-31)30-13-11-21(18-27(30)32)25-9-8-24(33-4)16-20(25)3/h7-11,13,16-19H,5-6,12,14-15H2,1-4H3.
What are the key properties of 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one?
1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one has a molecular weight of 444.58 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[ethyl(propyl)amino]ethyl]indazol-5-yl]-4-(4-methoxy-2-methylphenyl)pyridin-2-one is sourced from PubChem (CID 71039149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).