(Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine

C17H25N7 — CID 168885224

IUPAC(Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cn2nccc2c(N2CCC(CNC)CC2)n1
InChIInChI=1S/C17H25N7/c1-19-10-13-4-7-23(8-5-13)17-16-3-6-21-24(16)12-15(22-17)14(9-18)11-20-2/h3,6,9,11-13,19H,4-5,7-8,10,18H2,1-2H3/b14-9+,20-11+
InChIKeyQCGMUROIFMVQGG-KDELRPQBSA-N
MW327.44 g/mol
LogP1.17
Rot. Bonds5

About (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine

(Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine (PubChem CID 168885224) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
PubChem CID168885224
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name(Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cn2nccc2c(N2CCC(CNC)CC2)n1
InChIInChI=1S/C17H25N7/c1-19-10-13-4-7-23(8-5-13)17-16-3-6-21-24(16)12-15(22-17)14(9-18)11-20-2/h3,6,9,11-13,19H,4-5,7-8,10,18H2,1-2H3/b14-9+,20-11+
InChIKeyQCGMUROIFMVQGG-KDELRPQBSA-N
XLogP1.17
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine (CID 168885224) is (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine is C/N=C/C(=C\N)c1cn2nccc2c(N2CCC(CNC)CC2)n1.
What is the InChIKey of (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
The InChIKey is QCGMUROIFMVQGG-KDELRPQBSA-N. The full InChI is InChI=1S/C17H25N7/c1-19-10-13-4-7-23(8-5-13)17-16-3-6-21-24(16)12-15(22-17)14(9-18)11-20-2/h3,6,9,11-13,19H,4-5,7-8,10,18H2,1-2H3/b14-9+,20-11+.
What are the key properties of (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine?
(Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine has a molecular weight of 327.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[4-(methylaminomethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrazin-6-yl]-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 168885224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).