4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C87H84F4N22O — CID 165029608

IUPAC4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCN1CC=C(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)CC1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5=CCNC5)cn5ncc(C#N)c45)cn3)CC2)cn1.N#Cc1cnn2cc(C3=CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
InChIInChI=1S/C31H31F2N7.C28H25F2N7.C28H28N8O/c1-2-37-10-8-22(9-11-37)24-16-26(31-25(17-34)19-36-40(31)20-24)23-6-7-30(35-18-23)39-14-12-38(13-15-39)21-27-28(32)4-3-5-29(27)33;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/h3-8,16,18-20H,2,9-15,21H2,1H3;1-6,12,15-17,32H,7-11,14,18H2;2-6,12,14,16-17,19,30H,7-11,15,18H2,1H3
InChIKeyMKZPOAOGTPXVJE-UHFFFAOYSA-N
MW1529.77 g/mol
LogP11.81
Rot. Bonds17

About 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165029608) has the molecular formula C87H84F4N22O and a molecular weight of 1529.77 g/mol. Its IUPAC name is 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165029608
Molecular FormulaC87H84F4N22O
Molecular Weight1529.77 g/mol
Exact Mass1528.71
IUPAC Name4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCN1CC=C(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)CC1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5=CCNC5)cn5ncc(C#N)c45)cn3)CC2)cn1.N#Cc1cnn2cc(C3=CCNC3)cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c12
InChIInChI=1S/C31H31F2N7.C28H25F2N7.C28H28N8O/c1-2-37-10-8-22(9-11-37)24-16-26(31-25(17-34)19-36-40(31)20-24)23-6-7-30(35-18-23)39-14-12-38(13-15-39)21-27-28(32)4-3-5-29(27)33;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/h3-8,16,18-20H,2,9-15,21H2,1H3;1-6,12,15-17,32H,7-11,14,18H2;2-6,12,14,16-17,19,30H,7-11,15,18H2,1H3
InChIKeyMKZPOAOGTPXVJE-UHFFFAOYSA-N
XLogP11.81
TPSA230.80 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.77
LogP ≤ 511.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162644299
6-(2-fluoro-6-methoxyphenyl)-1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridine
CID 162672757
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
US11247990, Example 261
CID 138715255

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165029608) is 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[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-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCN1CC=C(c2cc(-c3ccc(N4CCN(Cc5c(F)cccc5F)CC4)nc3)c3c(C#N)cnn3c2)CC1.COc1ccc(CN2CCN(c3ccc(-c4cc(C5=CCNC5)cn5ncc(C#N)c45)cn3)CC2)cn1.N#Cc1cnn2cc(C3=CCNC3)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-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MKZPOAOGTPXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N7.C28H25F2N7.C28H28N8O/c1-2-37-10-8-22(9-11-37)24-16-26(31-25(17-34)19-36-40(31)20-24)23-6-7-30(35-18-23)39-14-12-38(13-15-39)21-27-28(32)4-3-5-29(27)33;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/h3-8,16,18-20H,2,9-15,21H2,1H3;1-6,12,15-17,32H,7-11,14,18H2;2-6,12,14,16-17,19,30H,7-11,15,18H2,1H3.
What are the key properties of 4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1529.77 g/mol, XLogP of 11.81, 17 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-(2,5-dihydro-1H-pyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2,5-dihydro-1H-pyrrol-3-yl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165029608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).