6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C20H23N9 — CID 155275559

IUPAC6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN(N)/C=C(\N)c1cc(-c2ccc(N3CCNCC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C20H23N9/c1-27(23)13-18(22)15-8-17(20-16(9-21)11-26-29(20)12-15)14-2-3-19(25-10-14)28-6-4-24-5-7-28/h2-3,8,10-13,24H,4-7,22-23H2,1H3/b18-13-
InChIKeyGAPXDNPMYWFBSG-AQTBWJFISA-N
MW389.47 g/mol
LogP0.74
Rot. Bonds4

About 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155275559) has the molecular formula C20H23N9 and a molecular weight of 389.47 g/mol. Its IUPAC name is 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155275559
Molecular FormulaC20H23N9
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCN(N)/C=C(\N)c1cc(-c2ccc(N3CCNCC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C20H23N9/c1-27(23)13-18(22)15-8-17(20-16(9-21)11-26-29(20)12-15)14-2-3-19(25-10-14)28-6-4-24-5-7-28/h2-3,8,10-13,24H,4-7,22-23H2,1H3/b18-13-
InChIKeyGAPXDNPMYWFBSG-AQTBWJFISA-N
XLogP0.74
TPSA124.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199
6-methyl-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 162725441
4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436930
6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134506720
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
6-[1-amino-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 174075663
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456
6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175764205
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847950
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155275559) is 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CN(N)/C=C(\N)c1cc(-c2ccc(N3CCNCC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GAPXDNPMYWFBSG-AQTBWJFISA-N. The full InChI is InChI=1S/C20H23N9/c1-27(23)13-18(22)15-8-17(20-16(9-21)11-26-29(20)12-15)14-2-3-19(25-10-14)28-6-4-24-5-7-28/h2-3,8,10-13,24H,4-7,22-23H2,1H3/b18-13-.
What are the key properties of 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 389.47 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155275559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).