4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C77H81N13O3 — CID 158463174

IUPAC4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.O=c1cc(CCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.O=c1cc(NCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H28N4O.C26H26N4O.C25H27N5O/c2*31-26-18-22(9-8-21-6-2-1-3-7-21)12-15-29(26)24-10-11-25-23(19-24)20-27-30(25)17-16-28-13-4-5-14-28;31-25-17-22(26-18-20-6-2-1-3-7-20)10-13-29(25)23-8-9-24-21(16-23)19-27-30(24)15-14-28-11-4-5-12-28/h1-3,6-7,10-12,15,18-20H,4-5,8-9,13-14,16-17H2;1-3,6-12,15,18-20H,4-5,13-14,16-17H2;1-3,6-10,13,16-17,19,26H,4-5,11-12,14-15,18H2/b;9-8+;
InChIKeyHFKXBTWUDNYWSZ-NWALZDBPSA-N
MW1236.58 g/mol
LogP12.42
Rot. Bonds20

About 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 158463174) has the molecular formula C77H81N13O3 and a molecular weight of 1236.58 g/mol. Its IUPAC name is 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID158463174
Molecular FormulaC77H81N13O3
Molecular Weight1236.58 g/mol
Exact Mass1235.66
IUPAC Name4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(/C=C/c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.O=c1cc(CCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.O=c1cc(NCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H28N4O.C26H26N4O.C25H27N5O/c2*31-26-18-22(9-8-21-6-2-1-3-7-21)12-15-29(26)24-10-11-25-23(19-24)20-27-30(25)17-16-28-13-4-5-14-28;31-25-17-22(26-18-20-6-2-1-3-7-20)10-13-29(25)23-8-9-24-21(16-23)19-27-30(24)15-14-28-11-4-5-12-28/h1-3,6-7,10-12,15,18-20H,4-5,8-9,13-14,16-17H2;1-3,6-12,15,18-20H,4-5,13-14,16-17H2;1-3,6-10,13,16-17,19,26H,4-5,11-12,14-15,18H2/b;9-8+;
InChIKeyHFKXBTWUDNYWSZ-NWALZDBPSA-N
XLogP12.42
TPSA141.21 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001236.58
LogP ≤ 512.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one with MolForge

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Related Compounds

4-(1-methyl-1H-indol-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205152
4-phenyl-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25207583
2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
CID 158350406
2,2-difluoro-N-[(3S)-1-[1-[(1-methylpyrazol-3-yl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-[(1-methylpyrazol-3-yl)methyl]indazole;methanamine
CID 158772501
1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 160221644
2,2-difluoro-N-[(2S,3R)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
CID 160268173
N-[(3S)-1-[1-(4,4-difluorocyclohexyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(4,4-difluorocyclohexyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 160443497
2,2-difluoro-N-[(3S)-1-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;4-[(5-iodoindazol-1-yl)methyl]-1-methylpyridin-2-one;methanamine
CID 160606654
2,2-difluoro-N-[(2R,3S)-1-[1-[(2-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(2-fluorophenyl)methyl]-5-iodoindazole;methanamine
CID 160863189
N-[(2R,3R)-4,4-difluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3R,4S)-4-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
CID 160879904
N-[(3S)-1-(1-cyclohexylindazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-cyclohexyl-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide
CID 160968555
2,2-difluoro-N-[(2S,3R)-2-(4-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
CID 160980155

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 158463174) is 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(/C=C/c2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.O=c1cc(CCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.O=c1cc(NCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is HFKXBTWUDNYWSZ-NWALZDBPSA-N. The full InChI is InChI=1S/C26H28N4O.C26H26N4O.C25H27N5O/c2*31-26-18-22(9-8-21-6-2-1-3-7-21)12-15-29(26)24-10-11-25-23(19-24)20-27-30(25)17-16-28-13-4-5-14-28;31-25-17-22(26-18-20-6-2-1-3-7-20)10-13-29(25)23-8-9-24-21(16-23)19-27-30(24)15-14-28-11-4-5-12-28/h1-3,6-7,10-12,15,18-20H,4-5,8-9,13-14,16-17H2;1-3,6-12,15,18-20H,4-5,13-14,16-17H2;1-3,6-10,13,16-17,19,26H,4-5,11-12,14-15,18H2/b;9-8+;.
What are the key properties of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 1236.58 g/mol, XLogP of 12.42, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[(E)-2-phenylethenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-phenylethyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 158463174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).