4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione

C55H73N9O4 — CID 162726482

IUPAC4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione
SMILESCC.CC.CC(=O)CCC(C)C(C)=O.CC(=O)N1CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(C)cc7)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C43H47N9O2.C8H14O2.2C2H6/c1-31-3-5-33(6-4-31)35-13-15-47(16-14-35)30-42(54)51-23-19-49(20-24-51)39-10-7-34(8-11-39)37-25-40(43-38(26-44)28-46-52(43)29-37)36-9-12-41(45-27-36)50-21-17-48(18-22-50)32(2)53;1-6(8(3)10)4-5-7(2)9;2*1-2/h3-12,25,27-29,35H,13-24,30H2,1-2H3;6H,4-5H2,1-3H3;2*1-2H3
InChIKeyJYAQAWPSDFCBCH-UHFFFAOYSA-N
MW924.25 g/mol
LogP9.07
Rot. Bonds11

About 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione

4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione (PubChem CID 162726482) has the molecular formula C55H73N9O4 and a molecular weight of 924.25 g/mol. Its IUPAC name is 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione.

Molecular Properties

Compound Name4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione
PubChem CID162726482
Molecular FormulaC55H73N9O4
Molecular Weight924.25 g/mol
Exact Mass923.58
IUPAC Name4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione
SMILESCC.CC.CC(=O)CCC(C)C(C)=O.CC(=O)N1CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(C)cc7)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C43H47N9O2.C8H14O2.2C2H6/c1-31-3-5-33(6-4-31)35-13-15-47(16-14-35)30-42(54)51-23-19-49(20-24-51)39-10-7-34(8-11-39)37-25-40(43-38(26-44)28-46-52(43)29-37)36-9-12-41(45-27-36)50-21-17-48(18-22-50)32(2)53;1-6(8(3)10)4-5-7(2)9;2*1-2/h3-12,25,27-29,35H,13-24,30H2,1-2H3;6H,4-5H2,1-3H3;2*1-2H3
InChIKeyJYAQAWPSDFCBCH-UHFFFAOYSA-N
XLogP9.07
TPSA138.46 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.25
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione with MolForge

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Related Compounds

1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 162726111
N-[1-[5-[3-cyano-6-[4-[4-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-2-phenylacetamide
CID 162725980
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388
4-[6-[4-(3-fluoropyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740138
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
tert-butyl N-tert-butyl-N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 126740126
tert-butyl 4-[4-[4-[6-[4-(tert-butylcarbamoyl)-4-methylpiperidin-1-yl]-3-pyridinyl]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 162726516
4-[5-[3-cyano-6-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 135150155
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione?
The IUPAC name of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione (CID 162726482) is 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione.
What is the SMILES notation for 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione?
The canonical SMILES for 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione is CC.CC.CC(=O)CCC(C)C(C)=O.CC(=O)N1CCN(c2ccc(-c3cc(-c4ccc(N5CCN(C(=O)CN6CCC(c7ccc(C)cc7)CC6)CC5)cc4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione?
The InChIKey is JYAQAWPSDFCBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N9O2.C8H14O2.2C2H6/c1-31-3-5-33(6-4-31)35-13-15-47(16-14-35)30-42(54)51-23-19-49(20-24-51)39-10-7-34(8-11-39)37-25-40(43-38(26-44)28-46-52(43)29-37)36-9-12-41(45-27-36)50-21-17-48(18-22-50)32(2)53;1-6(8(3)10)4-5-7(2)9;2*1-2/h3-12,25,27-29,35H,13-24,30H2,1-2H3;6H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione?
4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione has a molecular weight of 924.25 g/mol, XLogP of 9.07, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-[4-[4-[2-[4-(4-methylphenyl)piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane;3-methylheptane-2,6-dione is sourced from PubChem (CID 162726482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).