1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine

C41H40ClFN8O — CID 158319898

IUPAC1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
SMILESClc1ccc(-n2nc(C3CCN(Cc4cccnc4)CC3)c3ccncc32)cc1.FCc1ccc(-n2nc(C3CCOCC3)c3ccncc32)cc1
InChIInChI=1S/C23H22ClN5.C18H18FN3O/c24-19-3-5-20(6-4-19)29-22-15-26-11-7-21(22)23(27-29)18-8-12-28(13-9-18)16-17-2-1-10-25-14-17;19-11-13-1-3-15(4-2-13)22-17-12-20-8-5-16(17)18(21-22)14-6-9-23-10-7-14/h1-7,10-11,14-15,18H,8-9,12-13,16H2;1-5,8,12,14H,6-7,9-11H2
InChIKeyGOSHYXYKNFOCAI-UHFFFAOYSA-N
MW715.28 g/mol
LogP8.63
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine

1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine (PubChem CID 158319898) has the molecular formula C41H40ClFN8O and a molecular weight of 715.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
PubChem CID158319898
Molecular FormulaC41H40ClFN8O
Molecular Weight715.28 g/mol
Exact Mass714.30
IUPAC Name1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine
SMILESClc1ccc(-n2nc(C3CCN(Cc4cccnc4)CC3)c3ccncc32)cc1.FCc1ccc(-n2nc(C3CCOCC3)c3ccncc32)cc1
InChIInChI=1S/C23H22ClN5.C18H18FN3O/c24-19-3-5-20(6-4-19)29-22-15-26-11-7-21(22)23(27-29)18-8-12-28(13-9-18)16-17-2-1-10-25-14-17;19-11-13-1-3-15(4-2-13)22-17-12-20-8-5-16(17)18(21-22)14-6-9-23-10-7-14/h1-7,10-11,14-15,18H,8-9,12-13,16H2;1-5,8,12,14H,6-7,9-11H2
InChIKeyGOSHYXYKNFOCAI-UHFFFAOYSA-N
XLogP8.63
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.28
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine with MolForge

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Related Compounds

US9725449, Example 4
CID 122686497
US9725449, Example 37
CID 122686504
US9725449, Example 5
CID 122686585
US9725449, Example 280
CID 122694907
US9725449, Example 314
CID 122694935
US9725449, Example 315
CID 138403663
US9725449, Example 316
CID 138403664
US9725449, Example 322
CID 138403666
US9725449, Example 6
CID 122686519
US10174024, Example 48
CID 122689896
US9725449, Example 296
CID 122694921
US9725449, Example 317
CID 138403665

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine (CID 158319898) is 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine is Clc1ccc(-n2nc(C3CCN(Cc4cccnc4)CC3)c3ccncc32)cc1.FCc1ccc(-n2nc(C3CCOCC3)c3ccncc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
The InChIKey is GOSHYXYKNFOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5.C18H18FN3O/c24-19-3-5-20(6-4-19)29-22-15-26-11-7-21(22)23(27-29)18-8-12-28(13-9-18)16-17-2-1-10-25-14-17;19-11-13-1-3-15(4-2-13)22-17-12-20-8-5-16(17)18(21-22)14-6-9-23-10-7-14/h1-7,10-11,14-15,18H,8-9,12-13,16H2;1-5,8,12,14H,6-7,9-11H2.
What are the key properties of 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine?
1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine has a molecular weight of 715.28 g/mol, XLogP of 8.63, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-c]pyridine;1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 158319898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).