N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide

C22H26N6O2 — CID 163301836

IUPACN-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CC(C)(Oc2nc(-c3cnn(C)c3)cn3ncc(C4CC4)c23)C1
InChIInChI=1S/C22H26N6O2/c1-5-19(29)27(4)16-8-22(2,9-16)30-21-20-17(14-6-7-14)11-24-28(20)13-18(25-21)15-10-23-26(3)12-15/h5,10-14,16H,1,6-9H2,2-4H3
InChIKeyZVHAYMJISVGODZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.95
Rot. Bonds6

About N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide

N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide (PubChem CID 163301836) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide
PubChem CID163301836
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CC(C)(Oc2nc(-c3cnn(C)c3)cn3ncc(C4CC4)c23)C1
InChIInChI=1S/C22H26N6O2/c1-5-19(29)27(4)16-8-22(2,9-16)30-21-20-17(14-6-7-14)11-24-28(20)13-18(25-21)15-10-23-26(3)12-15/h5,10-14,16H,1,6-9H2,2-4H3
InChIKeyZVHAYMJISVGODZ-UHFFFAOYSA-N
XLogP2.95
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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 225
CID 163301470
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide?
The IUPAC name of N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide (CID 163301836) is N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide is C=CC(=O)N(C)C1CC(C)(Oc2nc(-c3cnn(C)c3)cn3ncc(C4CC4)c23)C1.
What is the InChIKey of N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide?
The InChIKey is ZVHAYMJISVGODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-5-19(29)27(4)16-8-22(2,9-16)30-21-20-17(14-6-7-14)11-24-28(20)13-18(25-21)15-10-23-26(3)12-15/h5,10-14,16H,1,6-9H2,2-4H3.
What are the key properties of N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide?
N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide has a molecular weight of 406.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-3-methylcyclobutyl]-N-methylprop-2-enamide is sourced from PubChem (CID 163301836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).