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

C25H19Cl2F3N6O2 — CID 139296863

IUPAC[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCOc1cccc(F)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C25H19Cl2F3N6O2/c1-38-21-4-2-3-16(28)23(21)36-22(13-8-18(30)20(9-17(13)29)33-25(31)37)14-11-35(6-5-19(14)34-36)24-15(27)7-12(26)10-32-24/h2-4,7-10H,5-6,11H2,1H3,(H3,31,33,37)
InChIKeyJBWCDHYIGSABIZ-UHFFFAOYSA-N
MW563.37 g/mol
LogP5.72
Rot. Bonds5

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

[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296863) has the molecular formula C25H19Cl2F3N6O2 and a molecular weight of 563.37 g/mol. Its IUPAC name is [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-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-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296863
Molecular FormulaC25H19Cl2F3N6O2
Molecular Weight563.37 g/mol
Exact Mass562.09
IUPAC Name[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCOc1cccc(F)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C25H19Cl2F3N6O2/c1-38-21-4-2-3-16(28)23(21)36-22(13-8-18(30)20(9-17(13)29)33-25(31)37)14-11-35(6-5-19(14)34-36)24-15(27)7-12(26)10-32-24/h2-4,7-10H,5-6,11H2,1H3,(H3,31,33,37)
InChIKeyJBWCDHYIGSABIZ-UHFFFAOYSA-N
XLogP5.72
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.37
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(3,4,5-trifluorophenyl)propyl]pyrazolo[3,4-b]pyridine
CID 42633129
5-chloro-7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634228
5-chloro-7-[(1S)-1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42635472
(S)-5-Chloro-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-YL)phenyl)-7-(1-(3,4,5-trifluorophenyl)ethyl)-7H-pyrazolo[3,4-B]pyridine
CID 53249051
5-Chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 57393418
5-chloro-7-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 57395146
5-chloro-7-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 57403889
1-(4-(4-(5-Chloro-4-(pyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 59291203
9-(2-chloro-4-fluorophenyl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-8-methyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68272161
(E)-4-(dimethylamino)-N-[3-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide
CID 73291831
N-[3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide
CID 73294505
(E)-N-[3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-(dimethylamino)but-2-enamide
CID 73294507

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-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-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296863) is [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-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-fluoro-6-methoxyphenyl)-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-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is COc1cccc(F)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2.
What is the InChIKey of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is JBWCDHYIGSABIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N6O2/c1-38-21-4-2-3-16(28)23(21)36-22(13-8-18(30)20(9-17(13)29)33-25(31)37)14-11-35(6-5-19(14)34-36)24-15(27)7-12(26)10-32-24/h2-4,7-10H,5-6,11H2,1H3,(H3,31,33,37).
What are the key properties of [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 563.37 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).