1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile

C26H28N8O — CID 164586780

IUPAC1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN1CCN(c2cc(-n3ncc4ccc(O)cc43)cnn2)CC1.N#Cc1cnc2c(c1)CCCC2
InChIInChI=1S/C16H18N6O.C10H10N2/c1-20-4-6-21(7-5-20)16-8-13(11-17-19-16)22-15-9-14(23)3-2-12(15)10-18-22;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h2-3,8-11,23H,4-7H2,1H3;5,7H,1-4H2
InChIKeyVUQKXAZHMOTRHY-UHFFFAOYSA-N
MW468.57 g/mol
LogP3.10
Rot. Bonds2

About 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile

1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 164586780) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID164586780
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN1CCN(c2cc(-n3ncc4ccc(O)cc43)cnn2)CC1.N#Cc1cnc2c(c1)CCCC2
InChIInChI=1S/C16H18N6O.C10H10N2/c1-20-4-6-21(7-5-20)16-8-13(11-17-19-16)22-15-9-14(23)3-2-12(15)10-18-22;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h2-3,8-11,23H,4-7H2,1H3;5,7H,1-4H2
InChIKeyVUQKXAZHMOTRHY-UHFFFAOYSA-N
XLogP3.10
TPSA106.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
8-[5-chloro-1-(1-methylpyrazol-4-yl)indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172792472
5-[1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]oxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 164586983
1-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 164587087
1-[1-[6-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 164587041
1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 115040096
8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172790159
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
(Z)-3-methylimino-2-[1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indazol-6-yl]prop-1-en-1-amine
CID 156661933
1-methylpiperazine;quinoline-3-carbonitrile
CID 162042146
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 164586780) is 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile is CN1CCN(c2cc(-n3ncc4ccc(O)cc43)cnn2)CC1.N#Cc1cnc2c(c1)CCCC2.
What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is VUQKXAZHMOTRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O.C10H10N2/c1-20-4-6-21(7-5-20)16-8-13(11-17-19-16)22-15-9-14(23)3-2-12(15)10-18-22;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h2-3,8-11,23H,4-7H2,1H3;5,7H,1-4H2.
What are the key properties of 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile?
1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 468.57 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]indazol-6-ol;5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 164586780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).