[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

C24H16Cl2F4N6O — CID 139296530

IUPAC[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESNC(=O)Nc1cc(F)c(-c2c3c(nn2-c2c(F)cccc2F)CCN(c2ncc(Cl)cc2Cl)C3)cc1F
InChIInChI=1S/C24H16Cl2F4N6O/c25-11-6-14(26)23(32-9-11)35-5-4-19-13(10-35)21(36(34-19)22-15(27)2-1-3-16(22)28)12-7-18(30)20(8-17(12)29)33-24(31)37/h1-3,6-9H,4-5,10H2,(H3,31,33,37)
InChIKeyHWTBVXGXTSTLDR-UHFFFAOYSA-N
MW551.33 g/mol
LogP5.85
Rot. Bonds4

About [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296530) has the molecular formula C24H16Cl2F4N6O and a molecular weight of 551.33 g/mol. Its IUPAC name is [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.

Molecular Properties

Compound Name[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296530
Molecular FormulaC24H16Cl2F4N6O
Molecular Weight551.33 g/mol
Exact Mass550.07
IUPAC Name[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESNC(=O)Nc1cc(F)c(-c2c3c(nn2-c2c(F)cccc2F)CCN(c2ncc(Cl)cc2Cl)C3)cc1F
InChIInChI=1S/C24H16Cl2F4N6O/c25-11-6-14(26)23(32-9-11)35-5-4-19-13(10-35)21(36(34-19)22-15(27)2-1-3-16(22)28)12-7-18(30)20(8-17(12)29)33-24(31)37/h1-3,6-9H,4-5,10H2,(H3,31,33,37)
InChIKeyHWTBVXGXTSTLDR-UHFFFAOYSA-N
XLogP5.85
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.33
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea with MolForge

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Related Compounds

[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-fluoro-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296529
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluoro-5-methylphenyl]urea
CID 159275188
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-ethoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 159076475
[4-[5-(3-chloro-5-propan-2-yl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296261
[4-[5-[(2,4-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296838
[4-[5-tert-butyl-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296313
[2,5-difluoro-4-[5-(5-fluoropyrimidin-2-yl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296273
[4-[5-[(4-tert-butylphenyl)methyl]-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296505
[4-[5-[(2-chlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296235
[4-[2-(2,6-diethylphenyl)-5-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296240
[4-[2-(2,6-dimethylphenyl)-5-(3-oxo-1-phenylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 159550286
[2,5-difluoro-4-[2-[2-methyl-6-(2-methylpropoxy)phenyl]-5-[2-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296270

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The IUPAC name of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296530) is [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.
What is the SMILES notation for [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The canonical SMILES for [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is NC(=O)Nc1cc(F)c(-c2c3c(nn2-c2c(F)cccc2F)CCN(c2ncc(Cl)cc2Cl)C3)cc1F.
What is the InChIKey of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is HWTBVXGXTSTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F4N6O/c25-11-6-14(26)23(32-9-11)35-5-4-19-13(10-35)21(36(34-19)22-15(27)2-1-3-16(22)28)12-7-18(30)20(8-17(12)29)33-24(31)37/h1-3,6-9H,4-5,10H2,(H3,31,33,37).
What are the key properties of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 551.33 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2,6-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).