1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

C23H24ClN5O2 — CID 167544748

IUPAC1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESNc1nccc2cc(CCC(=O)c3cc(Cl)cnc3NCCN3CCCC3=O)ccc12
InChIInChI=1S/C23H24ClN5O2/c24-17-13-19(23(28-14-17)27-9-11-29-10-1-2-21(29)31)20(30)6-4-15-3-5-18-16(12-15)7-8-26-22(18)25/h3,5,7-8,12-14H,1-2,4,6,9-11H2,(H2,25,26)(H,27,28)
InChIKeyHGIFNUCXIRNJPT-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.72
Rot. Bonds8

About 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 167544748) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
PubChem CID167544748
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESNc1nccc2cc(CCC(=O)c3cc(Cl)cnc3NCCN3CCCC3=O)ccc12
InChIInChI=1S/C23H24ClN5O2/c24-17-13-19(23(28-14-17)27-9-11-29-10-1-2-21(29)31)20(30)6-4-15-3-5-18-16(12-15)7-8-26-22(18)25/h3,5,7-8,12-14H,1-2,4,6,9-11H2,(H2,25,26)(H,27,28)
InChIKeyHGIFNUCXIRNJPT-UHFFFAOYSA-N
XLogP3.72
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-3-pyridinyl]propan-1-one
CID 167543965
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[4-(dimethylamino)anilino]-3-pyridinyl]propan-1-one
CID 167604088
3-(1-aminoisoquinolin-6-yl)-1-(2,5-dichloro-3-pyridinyl)propan-1-one;6-(aminomethyl)isoquinolin-1-amine;2,5-dichloropyridine-3-carboxylic acid
CID 167551916
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[(1-methylpiperidin-4-yl)methoxy]-3-pyridinyl]propan-1-one;methane
CID 167680257
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-6-[3-(4-methylpiperazin-1-yl)propylamino]-3-pyridinyl]propan-1-one
CID 167534824
1-[3-[[[5-[3-(1-aminoisoquinolin-6-yl)propanoyl]-3-chlorothiophen-2-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 167571449
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-2-[(5-oxopyrrolidin-2-yl)methylamino]pyridine-3-carboxamide
CID 165160025
3-(1-aminoisoquinolin-6-yl)-1-[6-methoxy-2-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]propan-1-one;methane
CID 167645623
N-[(1-aminoisoquinolin-6-yl)methyl]-4-chloro-5-[3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propyl]thiophene-2-carboxamide;methane
CID 167601751
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]-3-pyridinyl]propan-1-one;3-(1-aminoisoquinolin-6-yl)-1-(5,6-dichloro-3-pyridinyl)propan-1-one;N',N'-di(propan-2-yl)ethane-1,2-diamine;methane
CID 167650592
3-(1-aminoisoquinolin-6-yl)-1-[6-[(1-methylpiperidin-4-yl)methylamino]pyrazin-2-yl]propan-1-one
CID 167554786
3-(1-aminoisoquinolin-6-yl)-1-[4-chloro-5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]propan-1-one
CID 167607479

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (CID 167544748) is 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is Nc1nccc2cc(CCC(=O)c3cc(Cl)cnc3NCCN3CCCC3=O)ccc12.
What is the InChIKey of 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is HGIFNUCXIRNJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-17-13-19(23(28-14-17)27-9-11-29-10-1-2-21(29)31)20(30)6-4-15-3-5-18-16(12-15)7-8-26-22(18)25/h3,5,7-8,12-14H,1-2,4,6,9-11H2,(H2,25,26)(H,27,28).
What are the key properties of 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 437.93 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[3-(1-aminoisoquinolin-6-yl)propanoyl]-5-chloro-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 167544748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).