1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one

C44H38Cl2F2N14O2 — CID 158924586

IUPAC1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.O=C1NCCN1CCn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/2C22H19ClFN7O/c23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)28-18-4-6-26-20-13-31(29-21(18)20)10-9-30-8-7-27-22(30)32;23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)29-18-4-6-26-20-13-28-31(21(18)20)10-9-30-8-7-27-22(30)32/h1-6,11-13H,7-10H2,(H,25,28)(H,27,32);1-6,11-13H,7-10H2,(H,27,32)(H,25,26,29)
InChIKeyJIGSAMDNBCLWHY-UHFFFAOYSA-N
MW903.79 g/mol
LogP8.11
Rot. Bonds12

About 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one

1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one (PubChem CID 158924586) has the molecular formula C44H38Cl2F2N14O2 and a molecular weight of 903.79 g/mol. Its IUPAC name is 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
PubChem CID158924586
Molecular FormulaC44H38Cl2F2N14O2
Molecular Weight903.79 g/mol
Exact Mass902.26
IUPAC Name1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.O=C1NCCN1CCn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21
InChIInChI=1S/2C22H19ClFN7O/c23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)28-18-4-6-26-20-13-31(29-21(18)20)10-9-30-8-7-27-22(30)32;23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)29-18-4-6-26-20-13-28-31(21(18)20)10-9-30-8-7-27-22(30)32/h1-6,11-13H,7-10H2,(H,25,28)(H,27,32);1-6,11-13H,7-10H2,(H,27,32)(H,25,26,29)
InChIKeyJIGSAMDNBCLWHY-UHFFFAOYSA-N
XLogP8.11
TPSA175.94 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.79
LogP ≤ 58.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670226
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671350
7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N,N-dimethylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54669944
1-[2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one
CID 54669945
1-[2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one
CID 54670032
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670227
7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-propan-2-ylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670228
7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670325
7-[[2-(5-chloro-2-fluorophenyl)-6-methyl-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670326
7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-ethylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670330
7-[[2-(5-chloro-2,4-difluorophenyl)-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670412
4-((7-(2-(5-chloro-2-fluorophenyl)pyridin-4-ylamino)-2H-pyrazolo[4,3-b]pyridin-2-yl)methyl)-N-ethylpiperidine-1-carboxamide
CID 54671257

Frequently Asked Questions

What is the IUPAC name of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one (CID 158924586) is 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCn1cc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c2n1.O=C1NCCN1CCn1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21.
What is the InChIKey of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
The InChIKey is JIGSAMDNBCLWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19ClFN7O/c23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)28-18-4-6-26-20-13-31(29-21(18)20)10-9-30-8-7-27-22(30)32;23-14-1-2-17(24)16(11-14)19-12-15(3-5-25-19)29-18-4-6-26-20-13-28-31(21(18)20)10-9-30-8-7-27-22(30)32/h1-6,11-13H,7-10H2,(H,25,28)(H,27,32);1-6,11-13H,7-10H2,(H,27,32)(H,25,26,29).
What are the key properties of 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one?
1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one has a molecular weight of 903.79 g/mol, XLogP of 8.11, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethyl]imidazolidin-2-one;1-[2-[7-[[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 158924586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).