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

C30H31ClF2N6O2 — CID 139296439

IUPAC[4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCc1cc(N2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4cc(F)c(NC(N)=O)cc4F)c3C2)ncc1Cl
InChIInChI=1S/C30H31ClF2N6O2/c1-16(2)15-41-26-7-5-6-17(3)28(26)39-29(19-11-23(33)25(12-22(19)32)36-30(34)40)20-14-38(9-8-24(20)37-39)27-10-18(4)21(31)13-35-27/h5-7,10-13,16H,8-9,14-15H2,1-4H3,(H3,34,36,40)
InChIKeyWLBADPBYEHJNOV-UHFFFAOYSA-N
MW581.07 g/mol
LogP6.57
Rot. Bonds7

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

[4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296439) has the molecular formula C30H31ClF2N6O2 and a molecular weight of 581.07 g/mol. Its IUPAC name is [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.

Molecular Properties

Compound Name[4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296439
Molecular FormulaC30H31ClF2N6O2
Molecular Weight581.07 g/mol
Exact Mass580.22
IUPAC Name[4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCc1cc(N2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4cc(F)c(NC(N)=O)cc4F)c3C2)ncc1Cl
InChIInChI=1S/C30H31ClF2N6O2/c1-16(2)15-41-26-7-5-6-17(3)28(26)39-29(19-11-23(33)25(12-22(19)32)36-30(34)40)20-14-38(9-8-24(20)37-39)27-10-18(4)21(31)13-35-27/h5-7,10-13,16H,8-9,14-15H2,1-4H3,(H3,34,36,40)
InChIKeyWLBADPBYEHJNOV-UHFFFAOYSA-N
XLogP6.57
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.07
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-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-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The IUPAC name of [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296439) is [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.
What is the SMILES notation for [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The canonical SMILES for [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is Cc1cc(N2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4cc(F)c(NC(N)=O)cc4F)c3C2)ncc1Cl.
What is the InChIKey of [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is WLBADPBYEHJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClF2N6O2/c1-16(2)15-41-26-7-5-6-17(3)28(26)39-29(19-11-23(33)25(12-22(19)32)36-30(34)40)20-14-38(9-8-24(20)37-39)27-10-18(4)21(31)13-35-27/h5-7,10-13,16H,8-9,14-15H2,1-4H3,(H3,34,36,40).
What are the key properties of [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 581.07 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-chloro-4-methyl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).