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

C25H17Cl2F5N6O2 — CID 139296277

IUPAC[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESNC(=O)Nc1cc(F)c(-c2c3c(nn2-c2ccccc2OC(F)(F)F)CCN(c2ncc(Cl)cc2Cl)C3)cc1F
InChIInChI=1S/C25H17Cl2F5N6O2/c26-12-7-15(27)23(34-10-12)37-6-5-18-14(11-37)22(13-8-17(29)19(9-16(13)28)35-24(33)39)38(36-18)20-3-1-2-4-21(20)40-25(30,31)32/h1-4,7-10H,5-6,11H2,(H3,33,35,39)
InChIKeyCFHVXAMGDFHQCB-UHFFFAOYSA-N
MW599.35 g/mol
LogP6.47
Rot. Bonds5

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

[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296277) has the molecular formula C25H17Cl2F5N6O2 and a molecular weight of 599.35 g/mol. Its IUPAC name is [4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296277
Molecular FormulaC25H17Cl2F5N6O2
Molecular Weight599.35 g/mol
Exact Mass598.07
IUPAC Name[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESNC(=O)Nc1cc(F)c(-c2c3c(nn2-c2ccccc2OC(F)(F)F)CCN(c2ncc(Cl)cc2Cl)C3)cc1F
InChIInChI=1S/C25H17Cl2F5N6O2/c26-12-7-15(27)23(34-10-12)37-6-5-18-14(11-37)22(13-8-17(29)19(9-16(13)28)35-24(33)39)38(36-18)20-3-1-2-4-21(20)40-25(30,31)32/h1-4,7-10H,5-6,11H2,(H3,33,35,39)
InChIKeyCFHVXAMGDFHQCB-UHFFFAOYSA-N
XLogP6.47
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.35
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296277) is [4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is NC(=O)Nc1cc(F)c(-c2c3c(nn2-c2ccccc2OC(F)(F)F)CCN(c2ncc(Cl)cc2Cl)C3)cc1F.
What is the InChIKey of [4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is CFHVXAMGDFHQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2F5N6O2/c26-12-7-15(27)23(34-10-12)37-6-5-18-14(11-37)22(13-8-17(29)19(9-16(13)28)35-24(33)39)38(36-18)20-3-1-2-4-21(20)40-25(30,31)32/h1-4,7-10H,5-6,11H2,(H3,33,35,39).
What are the key properties of [4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[5-(3,5-dichloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 599.35 g/mol, XLogP of 6.47, 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-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).