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

C20H24N6O2 — CID 163301909

IUPACN-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1(C)C
InChIInChI=1S/C20H24N6O2/c1-6-18(27)25(5)16-9-17(20(16,2)3)28-19-15-7-8-21-26(15)12-14(23-19)13-10-22-24(4)11-13/h6-8,10-12,16-17H,1,9H2,2-5H3
InChIKeyXOVAIJNEQGPQNO-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.32
Rot. Bonds5

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

N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide (PubChem CID 163301909) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
PubChem CID163301909
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1(C)C
InChIInChI=1S/C20H24N6O2/c1-6-18(27)25(5)16-9-17(20(16,2)3)28-19-15-7-8-21-26(15)12-14(23-19)13-10-22-24(4)11-13/h6-8,10-12,16-17H,1,9H2,2-5H3
InChIKeyXOVAIJNEQGPQNO-UHFFFAOYSA-N
XLogP2.32
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide (CID 163301909) is N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide is C=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?
The InChIKey is XOVAIJNEQGPQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-6-18(27)25(5)16-9-17(20(16,2)3)28-19-15-7-8-21-26(15)12-14(23-19)13-10-22-24(4)11-13/h6-8,10-12,16-17H,1,9H2,2-5H3.
What are the key properties of N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?
N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide has a molecular weight of 380.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide is sourced from PubChem (CID 163301909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).