[2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

C32H34F2N6O2 — CID 139296307

IUPAC[2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
SMILESC=C(C)c1cnc(N2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4ccc(NC(N)=O)c(F)c4)c3C2)c(F)c1
InChIInChI=1S/C32H34F2N6O2/c1-18(2)17-42-28-8-6-7-20(5)29(28)40-30(21-9-10-27(24(33)13-21)37-32(35)41)23-16-39(12-11-26(23)38-40)31-25(34)14-22(15-36-31)19(3)4/h6-10,13-15,18H,3,11-12,16-17H2,1-2,4-5H3,(H3,35,37,41)
InChIKeySEKZADUMKMWUTI-UHFFFAOYSA-N
MW572.66 g/mol
LogP6.64
Rot. Bonds8

About [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

[2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (PubChem CID 139296307) has the molecular formula C32H34F2N6O2 and a molecular weight of 572.66 g/mol. Its IUPAC name is [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

Molecular Properties

Compound Name[2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
PubChem CID139296307
Molecular FormulaC32H34F2N6O2
Molecular Weight572.66 g/mol
Exact Mass572.27
IUPAC Name[2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
SMILESC=C(C)c1cnc(N2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4ccc(NC(N)=O)c(F)c4)c3C2)c(F)c1
InChIInChI=1S/C32H34F2N6O2/c1-18(2)17-42-28-8-6-7-20(5)29(28)40-30(21-9-10-27(24(33)13-21)37-32(35)41)23-16-39(12-11-26(23)38-40)31-25(34)14-22(15-36-31)19(3)4/h6-10,13-15,18H,3,11-12,16-17H2,1-2,4-5H3,(H3,35,37,41)
InChIKeySEKZADUMKMWUTI-UHFFFAOYSA-N
XLogP6.64
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
1-(2-(2-morpholinopyrimidin-4-yloxy)-3,5-difluorobenzyl)-3-(3-t-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
CID 59151869
1-(2-(2-morpholinopyrimidin-4-yloxy)-3-methyl-5-fluorobenzyl)-3-(3-t-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
CID 59151884
1-(2-(2-morpholinopyrimidin-4-yloxy)-5-fluorobenzyl)-3-(3-t-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
CID 59151928
4-[4-(5-cyclopropyloxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 78322146
4-(4-(5-Methoxy-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 85472082
US9555022, Example 02.33
CID 54770358
Isobutyl4-(7-amino-3-(3-(4-methylpiperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-6-yl)-2-methoxyphenylcarbamate
CID 46891185
(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
4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 168275936
4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
CID 168276456
N-(4-fluorophenyl)-4-[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]piperazine-1-carboxamide
CID 168281964

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
The IUPAC name of [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (CID 139296307) is [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.
What is the SMILES notation for [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
The canonical SMILES for [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is C=C(C)c1cnc(N2CCc3nn(-c4c(C)cccc4OCC(C)C)c(-c4ccc(NC(N)=O)c(F)c4)c3C2)c(F)c1.
What is the InChIKey of [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
The InChIKey is SEKZADUMKMWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N6O2/c1-18(2)17-42-28-8-6-7-20(5)29(28)40-30(21-9-10-27(24(33)13-21)37-32(35)41)23-16-39(12-11-26(23)38-40)31-25(34)14-22(15-36-31)19(3)4/h6-10,13-15,18H,3,11-12,16-17H2,1-2,4-5H3,(H3,35,37,41).
What are the key properties of [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?
[2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea has a molecular weight of 572.66 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[5-(3-fluoro-5-prop-1-en-2-yl-2-pyridinyl)-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 139296307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).