3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

C23H24ClFN6O — CID 178130584

IUPAC3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CN(C)CC2
InChIInChI=1S/C23H24ClFN6O/c1-14-20-13-29(2)7-8-30(20)28-22(14)16-9-15(23-18(24)11-27-31(23)12-16)3-6-21(32)19-5-4-17(25)10-26-19/h4-5,9-12,21,32H,3,6-8,13H2,1-2H3
InChIKeyGDONDNGMLVNTLF-UHFFFAOYSA-N
MW454.94 g/mol
LogP3.81
Rot. Bonds5

About 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol

3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 178130584) has the molecular formula C23H24ClFN6O and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID178130584
Molecular FormulaC23H24ClFN6O
Molecular Weight454.94 g/mol
Exact Mass454.17
IUPAC Name3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CN(C)CC2
InChIInChI=1S/C23H24ClFN6O/c1-14-20-13-29(2)7-8-30(20)28-22(14)16-9-15(23-18(24)11-27-31(23)12-16)3-6-21(32)19-5-4-17(25)10-26-19/h4-5,9-12,21,32H,3,6-8,13H2,1-2H3
InChIKeyGDONDNGMLVNTLF-UHFFFAOYSA-N
XLogP3.81
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-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
{3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-4-yl}-methanol
CID 44372312
US9725449, Example 292
CID 122694916
US9725449, Example 370
CID 122694958
US9725449, Example 375
CID 122694961
US9725449, Example 339
CID 138403675
US9725449, Example 357
CID 138403677
US9725449, Example 359
CID 138403678
{4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridin-3-yl}-methanol
CID 11078813
[9-[[1-[(E)-3-(4-chlorophenyl)prop-2-enyl]triazol-4-yl]methyl]-1-methylpyrido[3,4-b]indol-3-yl]methanol
CID 164621692
US10023570, Example 152
CID 124199914
US10023570, Example 153
CID 126740168

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 178130584) is 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-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-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is Cc1c(-c2cc(CCC(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nn2c1CN(C)CC2.
What is the InChIKey of 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is GDONDNGMLVNTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O/c1-14-20-13-29(2)7-8-30(20)28-22(14)16-9-15(23-18(24)11-27-31(23)12-16)3-6-21(32)19-5-4-17(25)10-26-19/h4-5,9-12,21,32H,3,6-8,13H2,1-2H3.
What are the key properties of 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol?
3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 454.94 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-6-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridin-4-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 178130584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).