4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C84H92F3N21O4 — CID 165033992

IUPAC4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOC1CC(CC(=O)C2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)C1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CCCC(F)(F)F)CC4)nc3)c12
InChIInChI=1S/C29H34N6O2.C28H29N9O.C27H29F3N6O/c1-37-25-12-20(13-25)14-27(36)21-6-10-34(11-7-21)28-5-4-22(17-31-28)26-15-24(33-8-2-3-9-33)19-35-29(26)23(16-30)18-32-35;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37;28-27(29,30)9-3-4-24(37)19-7-12-35(13-8-19)25-6-5-20(16-32-25)23-14-22(34-10-1-2-11-34)18-36-26(23)21(15-31)17-33-36/h4-5,15,17-21,25H,2-3,6-14H2,1H3;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3;5-6,14,16-19H,1-4,7-13H2
InChIKeyNCFCSCYSJWPVKS-UHFFFAOYSA-N
MW1516.80 g/mol
LogP12.98
Rot. Bonds20

About 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165033992) has the molecular formula C84H92F3N21O4 and a molecular weight of 1516.80 g/mol. Its IUPAC name is 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165033992
Molecular FormulaC84H92F3N21O4
Molecular Weight1516.80 g/mol
Exact Mass1515.76
IUPAC Name4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOC1CC(CC(=O)C2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)C1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CCCC(F)(F)F)CC4)nc3)c12
InChIInChI=1S/C29H34N6O2.C28H29N9O.C27H29F3N6O/c1-37-25-12-20(13-25)14-27(36)21-6-10-34(11-7-21)28-5-4-22(17-31-28)26-15-24(33-8-2-3-9-33)19-35-29(26)23(16-30)18-32-35;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37;28-27(29,30)9-3-4-24(37)19-7-12-35(13-8-19)25-6-5-20(16-32-25)23-14-22(34-10-1-2-11-34)18-36-26(23)21(15-31)17-33-36/h4-5,15,17-21,25H,2-3,6-14H2,1H3;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3;5-6,14,16-19H,1-4,7-13H2
InChIKeyNCFCSCYSJWPVKS-UHFFFAOYSA-N
XLogP12.98
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.80
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165033992) is 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COC1CC(CC(=O)C2CCN(c3ccc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn3)CC2)C1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(N5CCCC5)cn5ncc(C#N)c45)cn2)C3)cn1.N#Cc1cnn2cc(N3CCCC3)cc(-c3ccc(N4CCC(C(=O)CCCC(F)(F)F)CC4)nc3)c12.
What is the InChIKey of 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NCFCSCYSJWPVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2.C28H29N9O.C27H29F3N6O/c1-37-25-12-20(13-25)14-27(36)21-6-10-34(11-7-21)28-5-4-22(17-31-28)26-15-24(33-8-2-3-9-33)19-35-29(26)23(16-30)18-32-35;1-38-27-5-4-19(11-32-27)15-36-22-8-23(36)17-35(16-22)26-14-30-25(13-31-26)24-9-21(34-6-2-3-7-34)18-37-28(24)20(10-29)12-33-37;28-27(29,30)9-3-4-24(37)19-7-12-35(13-8-19)25-6-5-20(16-32-25)23-14-22(34-10-1-2-11-34)18-36-26(23)21(15-31)17-33-36/h4-5,15,17-21,25H,2-3,6-14H2,1H3;4-5,9,11-14,18,22-23H,2-3,6-8,15-17H2,1H3;5-6,14,16-19H,1-4,7-13H2.
What are the key properties of 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1516.80 g/mol, XLogP of 12.98, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-(3-methoxycyclobutyl)acetyl]piperidin-1-yl]-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;6-pyrrolidin-1-yl-4-[6-[4-(5,5,5-trifluoropentanoyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165033992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).