N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide

C18H17N3O — CID 172887522

IUPACN-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)c1ccc(-c2cccc3cn[nH]c23)cc1
InChIInChI=1S/C18H17N3O/c1-3-17(22)20-12(2)13-7-9-14(10-8-13)16-6-4-5-15-11-19-21-18(15)16/h3-12H,1H2,2H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyOMHXMODGFOCOKK-GFCCVEGCSA-N
MW291.35 g/mol
LogP3.59
Rot. Bonds4

About N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide

N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide (PubChem CID 172887522) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide
PubChem CID172887522
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@H](C)c1ccc(-c2cccc3cn[nH]c23)cc1
InChIInChI=1S/C18H17N3O/c1-3-17(22)20-12(2)13-7-9-14(10-8-13)16-6-4-5-15-11-19-21-18(15)16/h3-12H,1H2,2H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyOMHXMODGFOCOKK-GFCCVEGCSA-N
XLogP3.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)ethyl]prop-2-enamide
CID 172887533
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
CID 166428635
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
CID 43730801
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867
(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide
CID 97002410
N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 166408163
N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide
CID 166410284

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide (CID 172887522) is N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide is C=CC(=O)N[C@H](C)c1ccc(-c2cccc3cn[nH]c23)cc1.
What is the InChIKey of N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide?
The InChIKey is OMHXMODGFOCOKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-17(22)20-12(2)13-7-9-14(10-8-13)16-6-4-5-15-11-19-21-18(15)16/h3-12H,1H2,2H3,(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide?
N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide has a molecular weight of 291.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(1H-indazol-7-yl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 172887522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).