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

C27H25Cl2F2N7O2 — CID 139296299

IUPAC[4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCC(C)COc1cccnc1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C27H25Cl2F2N7O2/c1-14(2)13-40-23-4-3-6-33-26(23)38-24(16-9-20(31)22(10-19(16)30)35-27(32)39)17-12-37(7-5-21(17)36-38)25-18(29)8-15(28)11-34-25/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H3,32,35,39)
InChIKeyQQCGMCPJKKYYKF-UHFFFAOYSA-N
MW588.45 g/mol
LogP6.00
Rot. Bonds7

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

[4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296299) has the molecular formula C27H25Cl2F2N7O2 and a molecular weight of 588.45 g/mol. Its IUPAC name is [4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-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-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296299
Molecular FormulaC27H25Cl2F2N7O2
Molecular Weight588.45 g/mol
Exact Mass587.14
IUPAC Name[4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCC(C)COc1cccnc1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C27H25Cl2F2N7O2/c1-14(2)13-40-23-4-3-6-33-26(23)38-24(16-9-20(31)22(10-19(16)30)35-27(32)39)17-12-37(7-5-21(17)36-38)25-18(29)8-15(28)11-34-25/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H3,32,35,39)
InChIKeyQQCGMCPJKKYYKF-UHFFFAOYSA-N
XLogP6.00
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.45
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-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-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296299) is [4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-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-[3-(2-methylpropoxy)-2-pyridinyl]-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-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is CC(C)COc1cccnc1-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-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is QQCGMCPJKKYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2F2N7O2/c1-14(2)13-40-23-4-3-6-33-26(23)38-24(16-9-20(31)22(10-19(16)30)35-27(32)39)17-12-37(7-5-21(17)36-38)25-18(29)8-15(28)11-34-25/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H3,32,35,39).
What are the key properties of [4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 588.45 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichloro-2-pyridinyl)-2-[3-(2-methylpropoxy)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).