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

C84H87F4N21O — CID 165012607

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
SMILESCN1CCC(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)C1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5CCNC5)cn5nccc45)cn3)CC2)cn1.N#Cc1cnn2cc(C3CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
InChIInChI=1S/C29H29F2N7.C28H27F2N7.C27H31N7O/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;1-35-27-5-2-20(15-30-27)18-32-10-12-33(13-11-32)26-4-3-22(17-29-26)24-14-23(21-6-8-28-16-21)19-34-25(24)7-9-31-34/h2-6,13,15-16,18,21H,7-12,17,19H2,1H3;1-5,12,15-17,19,32H,6-11,14,18H2;2-5,7,9,14-15,17,19,21,28H,6,8,10-13,16,18H2,1H3
InChIKeyJXUFDSWXDPEUCG-UHFFFAOYSA-N
MW1482.76 g/mol
LogP11.43
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

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 (PubChem CID 165012607) has the molecular formula C84H87F4N21O and a molecular weight of 1482.76 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.

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
PubChem CID165012607
Molecular FormulaC84H87F4N21O
Molecular Weight1482.76 g/mol
Exact Mass1481.73
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
SMILESCN1CCC(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)C1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5CCNC5)cn5nccc45)cn3)CC2)cn1.N#Cc1cnn2cc(C3CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
InChIInChI=1S/C29H29F2N7.C28H27F2N7.C27H31N7O/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;1-35-27-5-2-20(15-30-27)18-32-10-12-33(13-11-32)26-4-3-22(17-29-26)24-14-23(21-6-8-28-16-21)19-34-25(24)7-9-31-34/h2-6,13,15-16,18,21H,7-12,17,19H2,1H3;1-5,12,15-17,19,32H,6-11,14,18H2;2-5,7,9,14-15,17,19,21,28H,6,8,10-13,16,18H2,1H3
InChIKeyJXUFDSWXDPEUCG-UHFFFAOYSA-N
XLogP11.43
TPSA207.01 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.76
LogP ≤ 511.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

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 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?
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 (CID 165012607) 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.
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?
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 is CN1CCC(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)C1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5CCNC5)cn5nccc45)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?
The InChIKey is JXUFDSWXDPEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F2N7.C28H27F2N7.C27H31N7O/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;1-35-27-5-2-20(15-30-27)18-32-10-12-33(13-11-32)26-4-3-22(17-29-26)24-14-23(21-6-8-28-16-21)19-34-25(24)7-9-31-34/h2-6,13,15-16,18,21H,7-12,17,19H2,1H3;1-5,12,15-17,19,32H,6-11,14,18H2;2-5,7,9,14-15,17,19,21,28H,6,8,10-13,16,18H2,1H3.
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?
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 has a molecular weight of 1482.76 g/mol, XLogP of 11.43, 16 rotatable bonds, 2 hydrogen bond donors, and 22 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 is sourced from PubChem (CID 165012607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).