3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C22H24ClFN6O — CID 178131254

IUPAC3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCNCc1c(C)c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn1C
InChIInChI=1S/C22H24ClFN6O/c1-13-19(11-25-2)29(3)28-21(13)15-8-14(22-17(23)10-27-30(22)12-15)4-7-20(31)18-6-5-16(24)9-26-18/h5-6,8-10,12,20,25,31H,4,7,11H2,1-3H3
InChIKeySJHLKCRQUPTCJU-UHFFFAOYSA-N
MW442.93 g/mol
LogP3.62
Rot. Bonds7

About 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 178131254) has the molecular formula C22H24ClFN6O and a molecular weight of 442.93 g/mol. Its IUPAC name is 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID178131254
Molecular FormulaC22H24ClFN6O
Molecular Weight442.93 g/mol
Exact Mass442.17
IUPAC Name3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCNCc1c(C)c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn1C
InChIInChI=1S/C22H24ClFN6O/c1-13-19(11-25-2)29(3)28-21(13)15-8-14(22-17(23)10-27-30(22)12-15)4-7-20(31)18-6-5-16(24)9-26-18/h5-6,8-10,12,20,25,31H,4,7,11H2,1-3H3
InChIKeySJHLKCRQUPTCJU-UHFFFAOYSA-N
XLogP3.62
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol with MolForge

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Related Compounds

{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-6-yl}-methanol
CID 44372296
[6-Chloro-3-ethyl-5-(1H-tetrazol-5-yl)-pyrazolo[1,5-a]pyridin-2-yl]-bis-(2-fluoro-phenyl)-methanol
CID 171034273
{4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-3-yl}-methanol
CID 11078813
(2R,3R,4R)-3-(benzotriazol-1-yl)-2-(2-chlorophenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-4-ol
CID 172444629
1,1-Bis(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)ethanol
CID 343184
[3-(4-Fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-pyrazolo[1,5-a]pyridin-6-yl]-methanol
CID 10359469
1-[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanol
CID 21027346
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-2-(oxolan-2-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671254
1-[(3-Chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532261
1-[(2-Chloro-5-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532324
1-[(4-Chloro-2-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532410
1-[(2-Chloro-4-fluorophenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532433

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 178131254) is 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is CNCc1c(C)c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn1C.
What is the InChIKey of 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is SJHLKCRQUPTCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN6O/c1-13-19(11-25-2)29(3)28-21(13)15-8-14(22-17(23)10-27-30(22)12-15)4-7-20(31)18-6-5-16(24)9-26-18/h5-6,8-10,12,20,25,31H,4,7,11H2,1-3H3.
What are the key properties of 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 442.93 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-6-[1,4-dimethyl-5-(methylaminomethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 178131254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).