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

C18H20N6O2 — CID 163301662

IUPACN-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C18H20N6O2/c1-4-17(25)23(3)13-7-14(8-13)26-18-16-5-6-19-24(16)11-15(21-18)12-9-20-22(2)10-12/h4-6,9-11,13-14H,1,7-8H2,2-3H3
InChIKeyJLDAHVDBMNCNIE-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.68
Rot. Bonds5

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

N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide (PubChem CID 163301662) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
PubChem CID163301662
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C18H20N6O2/c1-4-17(25)23(3)13-7-14(8-13)26-18-16-5-6-19-24(16)11-15(21-18)12-9-20-22(2)10-12/h4-6,9-11,13-14H,1,7-8H2,2-3H3
InChIKeyJLDAHVDBMNCNIE-UHFFFAOYSA-N
XLogP1.68
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.68
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
example 5.20 on page 506 of WO15017610
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US20240083900, Example 158
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US20240083900, Example 225
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US20240083900, Example 175
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US20240083900, Example 214
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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-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide (CID 163301662) is N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide is C=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The InChIKey is JLDAHVDBMNCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-4-17(25)23(3)13-7-14(8-13)26-18-16-5-6-19-24(16)11-15(21-18)12-9-20-22(2)10-12/h4-6,9-11,13-14H,1,7-8H2,2-3H3.
What are the key properties of N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide has a molecular weight of 352.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide is sourced from PubChem (CID 163301662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).