N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide

C24H24N4O3 — CID 146208911

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cccc(-c3cc(OC)c4[nH]ncc4c3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-30-20-8-4-6-16(11-20)21(13-25)27-24(29)17-7-3-5-15(9-17)18-10-19-14-26-28-23(19)22(12-18)31-2/h3-12,14,21H,13,25H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDNFUMFTXDNTGIG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.68
Rot. Bonds7

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide (PubChem CID 146208911) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide
PubChem CID146208911
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cccc(-c3cc(OC)c4[nH]ncc4c3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-30-20-8-4-6-16(11-20)21(13-25)27-24(29)17-7-3-5-15(9-17)18-10-19-14-26-28-23(19)22(12-18)31-2/h3-12,14,21H,13,25H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyDNFUMFTXDNTGIG-UHFFFAOYSA-N
XLogP3.68
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide (CID 146208911) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide is COc1cccc(C(CN)NC(=O)c2cccc(-c3cc(OC)c4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide?
The InChIKey is DNFUMFTXDNTGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-20-8-4-6-16(11-20)21(13-25)27-24(29)17-7-3-5-15(9-17)18-10-19-14-26-28-23(19)22(12-18)31-2/h3-12,14,21H,13,25H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-3-(7-methoxy-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).