4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

C85H86F4N22O — CID 165031205

IUPAC4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN1CCC(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)C1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn3)CC2)cn1.N#Cc1cnn2cc(C3CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
InChIInChI=1S/C29H29F2N7.C28H27F2N7.C28H30N8O/c1-35-8-7-21(17-35)22-13-24(29-23(14-32)16-34-38(29)18-22)20-5-6-28(33-15-20)37-11-9-36(10-12-37)19-25-26(30)3-2-4-27(25)31;29-25-2-1-3-26(30)24(25)18-35-8-10-36(11-9-35)27-5-4-20(15-33-27)23-12-21(19-6-7-32-14-19)17-37-28(23)22(13-31)16-34-37;1-37-27-5-2-20(14-32-27)18-34-8-10-35(11-9-34)26-4-3-22(16-31-26)25-12-23(21-6-7-30-15-21)19-36-28(25)24(13-29)17-33-36/h2-6,13,15-16,18,21H,7-12,17,19H2,1H3;1-5,12,15-17,19,32H,6-11,14,18H2;2-5,12,14,16-17,19,21,30H,6-11,15,18H2,1H3
InChIKeyMRJAWIFRSYOALE-UHFFFAOYSA-N
MW1507.77 g/mol
LogP11.30
Rot. Bonds16

About 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165031205) has the molecular formula C85H86F4N22O and a molecular weight of 1507.77 g/mol. Its IUPAC name is 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165031205
Molecular FormulaC85H86F4N22O
Molecular Weight1507.77 g/mol
Exact Mass1506.73
IUPAC Name4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN1CCC(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)C1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn3)CC2)cn1.N#Cc1cnn2cc(C3CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
InChIInChI=1S/C29H29F2N7.C28H27F2N7.C28H30N8O/c1-35-8-7-21(17-35)22-13-24(29-23(14-32)16-34-38(29)18-22)20-5-6-28(33-15-20)37-11-9-36(10-12-37)19-25-26(30)3-2-4-27(25)31;29-25-2-1-3-26(30)24(25)18-35-8-10-36(11-9-35)27-5-4-20(15-33-27)23-12-21(19-6-7-32-14-19)17-37-28(23)22(13-31)16-34-37;1-37-27-5-2-20(14-32-27)18-34-8-10-35(11-9-34)26-4-3-22(16-31-26)25-12-23(21-6-7-30-15-21)19-36-28(25)24(13-29)17-33-36/h2-6,13,15-16,18,21H,7-12,17,19H2,1H3;1-5,12,15-17,19,32H,6-11,14,18H2;2-5,12,14,16-17,19,21,30H,6-11,15,18H2,1H3
InChIKeyMRJAWIFRSYOALE-UHFFFAOYSA-N
XLogP11.30
TPSA230.80 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.77
LogP ≤ 511.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

US10023570, Example 457
CID 124199389
US10023570, Example 736
CID 124200174
US10023570, Example 666
CID 124200183
US10023570, Example 696
CID 124200223
US10023570, Example 675
CID 126740221
US10023570, Example 674
CID 126740224
US10174027, Example 673
CID 126740374
US10174028, Example 688
CID 135165770
US10174028, Example 689
CID 135165771
6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169286253
4-[6-[6-[(6-Methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[4-(trideuteriomethyl)piperazin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 168433553
US10023570, Example 713
CID 124199697

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165031205) is 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is CN1CCC(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)C1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5CCNC5)cn5ncc(C#N)c45)cn3)CC2)cn1.N#Cc1cnn2cc(C3CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12.
What is the InChIKey of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MRJAWIFRSYOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7.C28H27F2N7.C28H30N8O/c1-35-8-7-21(17-35)22-13-24(29-23(14-32)16-34-38(29)18-22)20-5-6-28(33-15-20)37-11-9-36(10-12-37)19-25-26(30)3-2-4-27(25)31;29-25-2-1-3-26(30)24(25)18-35-8-10-36(11-9-35)27-5-4-20(15-33-27)23-12-21(19-6-7-32-14-19)17-37-28(23)22(13-31)16-34-37;1-37-27-5-2-20(14-32-27)18-34-8-10-35(11-9-34)26-4-3-22(16-31-26)25-12-23(21-6-7-30-15-21)19-36-28(25)24(13-29)17-33-36/h2-6,13,15-16,18,21H,7-12,17,19H2,1H3;1-5,12,15-17,19,32H,6-11,14,18H2;2-5,12,14,16-17,19,21,30H,6-11,15,18H2,1H3.
What are the key properties of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1507.77 g/mol, XLogP of 11.30, 16 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrrolidin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-pyrrolidin-3-ylpyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165031205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).