1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C107H128N22O8 — CID 159800354

IUPAC1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C#N)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCCC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCN(C)CC5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C27H34N6O2.C27H30N6O2.C27H33N5O2.C26H31N5O2/c1-19(34)32-9-6-25-24(18-32)27(29-33(25)21-7-14-35-15-8-21)22-5-3-4-20-16-26(28-17-23(20)22)31-12-10-30(2)11-13-31;1-18(34)31-10-6-25-24(17-31)27(30-33(25)21-7-11-35-12-8-21)22-4-2-3-20-13-26(29-15-23(20)22)32-9-5-19(14-28)16-32;1-19(33)31-13-8-25-24(18-31)27(29-32(25)21-9-14-34-15-10-21)22-7-5-6-20-16-26(28-17-23(20)22)30-11-3-2-4-12-30;1-18(32)30-12-7-24-23(17-30)26(28-31(24)20-8-13-33-14-9-20)21-6-4-5-19-15-25(27-16-22(19)21)29-10-2-3-11-29/h3-5,16-17,21H,6-15,18H2,1-2H3;2-4,13,15,19,21H,5-12,16-17H2,1H3;5-7,16-17,21H,2-4,8-15,18H2,1H3;4-6,15-16,20H,2-3,7-14,17H2,1H3
InChIKeyNJRZZLQTVQTEIE-UHFFFAOYSA-N
MW1850.35 g/mol
LogP15.11
Rot. Bonds12

About 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159800354) has the molecular formula C107H128N22O8 and a molecular weight of 1850.35 g/mol. Its IUPAC name is 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID159800354
Molecular FormulaC107H128N22O8
Molecular Weight1850.35 g/mol
Exact Mass1849.03
IUPAC Name1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C#N)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCCC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCN(C)CC5)ncc34)nn2C2CCOCC2)C1
InChIInChI=1S/C27H34N6O2.C27H30N6O2.C27H33N5O2.C26H31N5O2/c1-19(34)32-9-6-25-24(18-32)27(29-33(25)21-7-14-35-15-8-21)22-5-3-4-20-16-26(28-17-23(20)22)31-12-10-30(2)11-13-31;1-18(34)31-10-6-25-24(17-31)27(30-33(25)21-7-11-35-12-8-21)22-4-2-3-20-13-26(29-15-23(20)22)32-9-5-19(14-28)16-32;1-19(33)31-13-8-25-24(18-31)27(29-32(25)21-9-14-34-15-10-21)22-7-5-6-20-16-26(28-17-23(20)22)30-11-3-2-4-12-30;1-18(32)30-12-7-24-23(17-30)26(28-31(24)20-8-13-33-14-9-20)21-6-4-5-19-15-25(27-16-22(19)21)29-10-2-3-11-29/h3-5,16-17,21H,6-15,18H2,1-2H3;2-4,13,15,19,21H,5-12,16-17H2,1H3;5-7,16-17,21H,2-4,8-15,18H2,1H3;4-6,15-16,20H,2-3,7-14,17H2,1H3
InChIKeyNJRZZLQTVQTEIE-UHFFFAOYSA-N
XLogP15.11
TPSA280.99 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001850.35
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

US11247989, Example 115
CID 139382540
US11247989, Example 118
CID 132186441
US11247989, Example 113
CID 132186445
US11247989, Example 114
CID 132186457
US11247989, Example 119
CID 132186459
US11247989, Example 120
CID 132186461
US11247989, Example 129
CID 132186462
US11247989, Example 127
CID 132186715
US11247989, Example 128
CID 132186788
US11247989, Example 123
CID 132186791
US11247989, Example 116
CID 132186850
US11247989, Example 121
CID 139382552

Frequently Asked Questions

What is the IUPAC name of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159800354) is 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C#N)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCCC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCN(C)CC5)ncc34)nn2C2CCOCC2)C1.
What is the InChIKey of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NJRZZLQTVQTEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2.C27H30N6O2.C27H33N5O2.C26H31N5O2/c1-19(34)32-9-6-25-24(18-32)27(29-33(25)21-7-14-35-15-8-21)22-5-3-4-20-16-26(28-17-23(20)22)31-12-10-30(2)11-13-31;1-18(34)31-10-6-25-24(17-31)27(30-33(25)21-7-11-35-12-8-21)22-4-2-3-20-13-26(29-15-23(20)22)32-9-5-19(14-28)16-32;1-19(33)31-13-8-25-24(18-31)27(29-32(25)21-9-14-34-15-10-21)22-7-5-6-20-16-26(28-17-23(20)22)30-11-3-2-4-12-30;1-18(32)30-12-7-24-23(17-30)26(28-31(24)20-8-13-33-14-9-20)21-6-4-5-19-15-25(27-16-22(19)21)29-10-2-3-11-29/h3-5,16-17,21H,6-15,18H2,1-2H3;2-4,13,15,19,21H,5-12,16-17H2,1H3;5-7,16-17,21H,2-4,8-15,18H2,1H3;4-6,15-16,20H,2-3,7-14,17H2,1H3.
What are the key properties of 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1850.35 g/mol, XLogP of 15.11, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidine-3-carbonitrile;1-[3-[3-(4-methylpiperazin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-piperidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(3-pyrrolidin-1-ylisoquinolin-8-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159800354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).