1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile

C60H60N12O8 — CID 167614087

IUPAC1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
SMILESCc1c(COc2ccc3nc(C(=O)N4CCC(C#N)(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.N#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(O)ccc3n2)CC1
InChIInChI=1S/C35H34N6O5.C25H26N6O3/c1-23-24(6-8-26-29(23)21-46-34(26)44)20-45-25-7-9-30-27(18-25)28(32(42)39-13-3-2-4-14-39)19-31(38-30)33(43)40-16-10-35(22-36,11-17-40)41-15-5-12-37-41;26-17-25(31-12-4-9-27-31)7-13-30(14-8-25)24(34)22-16-20(23(33)29-10-2-1-3-11-29)19-15-18(32)5-6-21(19)28-22/h5-9,12,15,18-19H,2-4,10-11,13-14,16-17,20-21H2,1H3;4-6,9,12,15-16,32H,1-3,7-8,10-11,13-14H2
InChIKeyLMEMPGPDAZXSGF-UHFFFAOYSA-N
MW1077.22 g/mol
LogP7.69
Rot. Bonds9

About 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile

1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile (PubChem CID 167614087) has the molecular formula C60H60N12O8 and a molecular weight of 1077.22 g/mol. Its IUPAC name is 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
PubChem CID167614087
Molecular FormulaC60H60N12O8
Molecular Weight1077.22 g/mol
Exact Mass1076.47
IUPAC Name1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
SMILESCc1c(COc2ccc3nc(C(=O)N4CCC(C#N)(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.N#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(O)ccc3n2)CC1
InChIInChI=1S/C35H34N6O5.C25H26N6O3/c1-23-24(6-8-26-29(23)21-46-34(26)44)20-45-25-7-9-30-27(18-25)28(32(42)39-13-3-2-4-14-39)19-31(38-30)33(43)40-16-10-35(22-36,11-17-40)41-15-5-12-37-41;26-17-25(31-12-4-9-27-31)7-13-30(14-8-25)24(34)22-16-20(23(33)29-10-2-1-3-11-29)19-15-18(32)5-6-21(19)28-22/h5-9,12,15,18-19H,2-4,10-11,13-14,16-17,20-21H2,1H3;4-6,9,12,15-16,32H,1-3,7-8,10-11,13-14H2
InChIKeyLMEMPGPDAZXSGF-UHFFFAOYSA-N
XLogP7.69
TPSA246.00 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001077.22
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-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

7-(3-{[4-(4-Acetylpiperazin-1-Yl)phenoxy]methyl}-1,5-Dimethyl-1h-Pyrazol-4-Yl)-3-{3-[(Naphthalen-1-Yl)oxy]propyl}-1-[(Pyridin-3-Yl)methyl]-1h-Indole-2-Carboxylic Acid
CID 68938909
2-Fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
CID 164830142
3-Fluoro-4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
CID 164830152
[(19R)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 3-[2-[[2-[4-[3-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-3-oxopropyl]triazol-1-yl]acetyl]amino]ethylcarbamoyl]benzoate
CID 121474170
(10,19-Diethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl) 3-[2-[[2-[4-[3-[4-[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]phenoxy]butylamino]-3-oxopropyl]triazol-1-yl]acetyl]amino]ethylcarbamoyl]benzoate
CID 123758728
1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile
CID 155343629
Piperidin-1-yl-[6-(pyrazolo[1,5-a]pyridin-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]methanone
CID 164830099
[6-[(1-Methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 164830102
5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one
CID 164830106
4-[[4-(Piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
CID 164830118
4-methyl-5-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]-3H-2-benzofuran-1-one
CID 164830127
Piperidin-1-yl-[2-(4-pyrazol-1-ylpiperidine-1-carbonyl)-6-(3-pyridin-3-ylpropoxy)quinolin-4-yl]methanone
CID 164830128

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
The IUPAC name of 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile (CID 167614087) is 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile is Cc1c(COc2ccc3nc(C(=O)N4CCC(C#N)(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)ccc2c1COC2=O.N#CC1(n2cccn2)CCN(C(=O)c2cc(C(=O)N3CCCCC3)c3cc(O)ccc3n2)CC1.
What is the InChIKey of 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
The InChIKey is LMEMPGPDAZXSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O5.C25H26N6O3/c1-23-24(6-8-26-29(23)21-46-34(26)44)20-45-25-7-9-30-27(18-25)28(32(42)39-13-3-2-4-14-39)19-31(38-30)33(43)40-16-10-35(22-36,11-17-40)41-15-5-12-37-41;26-17-25(31-12-4-9-27-31)7-13-30(14-8-25)24(34)22-16-20(23(33)29-10-2-1-3-11-29)19-15-18(32)5-6-21(19)28-22/h5-9,12,15,18-19H,2-4,10-11,13-14,16-17,20-21H2,1H3;4-6,9,12,15-16,32H,1-3,7-8,10-11,13-14H2.
What are the key properties of 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile?
1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile has a molecular weight of 1077.22 g/mol, XLogP of 7.69, 9 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile;1-[6-[(4-methyl-1-oxo-3H-2-benzofuran-5-yl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-pyrazol-1-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 167614087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).