N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide

C21H24N6O2 — CID 163301470

IUPACN-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide
SMILESC=CC(=O)N(C)C12CCCC(Oc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2
InChIInChI=1S/C21H24N6O2/c1-4-18(28)26(3)20-7-5-8-21(13-20,14-20)29-19-17-6-9-22-27(17)12-16(24-19)15-10-23-25(2)11-15/h4,6,9-12H,1,5,7-8,13-14H2,2-3H3
InChIKeyPKZFCJWULRBWCD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide

N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide (PubChem CID 163301470) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide
PubChem CID163301470
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide
SMILESC=CC(=O)N(C)C12CCCC(Oc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2
InChIInChI=1S/C21H24N6O2/c1-4-18(28)26(3)20-7-5-8-21(13-20,14-20)29-19-17-6-9-22-27(17)12-16(24-19)15-10-23-25(2)11-15/h4,6,9-12H,1,5,7-8,13-14H2,2-3H3
InChIKeyPKZFCJWULRBWCD-UHFFFAOYSA-N
XLogP2.61
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

N-Methyl-N-(cis-3-methyl-3-((6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl)oxy)cyclobutyl)acrylamide
CID 163301394
US20240083900, Example 158
CID 163301374
US20240083900, Example 2
CID 163301479
US20240083900, Example 175
CID 163301497
US20240083900, Example 214
CID 163301524
US20240083900, Example 185
CID 163301662
US20240083900, Example 4
CID 163301673
US20240083900, Example 190
CID 163301812
US20240083900, Example 200
CID 163301870
US20240083900, Example 29
CID 163301923
US20240083900, Example 11
CID 163302021
US20240083900, Example 167
CID 163302144

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide (CID 163301470) is N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide is C=CC(=O)N(C)C12CCCC(Oc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2.
What is the InChIKey of N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide?
The InChIKey is PKZFCJWULRBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-4-18(28)26(3)20-7-5-8-21(13-20,14-20)29-19-17-6-9-22-27(17)12-16(24-19)15-10-23-25(2)11-15/h4,6,9-12H,1,5,7-8,13-14H2,2-3H3.
What are the key properties of N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide?
N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-1-bicyclo[3.1.1]heptanyl]prop-2-enamide is sourced from PubChem (CID 163301470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).