2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

C20H23N5O2 — CID 117073155

IUPAC2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(N)C(=O)N2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-5-2-13(3-6-17)19(21)20(26)25-9-8-16(12-25)23-15-4-7-18-14(10-15)11-22-24-18/h2-7,10-11,16,19,23H,8-9,12,21H2,1H3,(H,22,24)
InChIKeyWOBJOYQZZIJYBF-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.28
Rot. Bonds5

About 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 117073155) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID117073155
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(N)C(=O)N2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-5-2-13(3-6-17)19(21)20(26)25-9-8-16(12-25)23-15-4-7-18-14(10-15)11-22-24-18/h2-7,10-11,16,19,23H,8-9,12,21H2,1H3,(H,22,24)
InChIKeyWOBJOYQZZIJYBF-UHFFFAOYSA-N
XLogP2.28
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073147
2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 117073159
(2R)-2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
CID 117073044
2-amino-2-(3-fluorophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073145
2-amino-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 117073054
2-(4-bromophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073106
2-amino-2-(3-fluorophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 117073144
(2R)-2-amino-3-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]propan-1-one
CID 117073393
(2S)-2-amino-3-(4-bromophenyl)-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]propan-1-one
CID 117073391
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-1H-indazol-5-amine
CID 21098476

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 117073155) is 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(C(N)C(=O)N2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is WOBJOYQZZIJYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-5-2-13(3-6-17)19(21)20(26)25-9-8-16(12-25)23-15-4-7-18-14(10-15)11-22-24-18/h2-7,10-11,16,19,23H,8-9,12,21H2,1H3,(H,22,24).
What are the key properties of 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 117073155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).