6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

C22H23N7O2 — CID 166230854

IUPAC6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCn1ccc(CNc2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(O)c2)n1
InChIInChI=1S/C22H23N7O2/c1-27-7-6-18(26-27)15-24-17-3-4-19(20(30)12-17)22(31)29-10-8-28(9-11-29)21-5-2-16(13-23)14-25-21/h2-7,12,14,24,30H,8-11,15H2,1H3
InChIKeyPLDNLGMJXRTFFC-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.97
Rot. Bonds5

About 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 166230854) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID166230854
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCn1ccc(CNc2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(O)c2)n1
InChIInChI=1S/C22H23N7O2/c1-27-7-6-18(26-27)15-24-17-3-4-19(20(30)12-17)22(31)29-10-8-28(9-11-29)21-5-2-16(13-23)14-25-21/h2-7,12,14,24,30H,8-11,15H2,1H3
InChIKeyPLDNLGMJXRTFFC-UHFFFAOYSA-N
XLogP1.97
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 47067765
6-[4-[2-[(2-methylpropan-2-yl)oxy]-5-methylsulfonylbenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 69290780
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 166230854) is 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile is Cn1ccc(CNc2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(O)c2)n1.
What is the InChIKey of 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PLDNLGMJXRTFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-27-7-6-18(26-27)15-24-17-3-4-19(20(30)12-17)22(31)29-10-8-28(9-11-29)21-5-2-16(13-23)14-25-21/h2-7,12,14,24,30H,8-11,15H2,1H3.
What are the key properties of 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 417.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166230854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).