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

C19H22N6O2 — CID 163301374

IUPACN-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1(C)CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C19H22N6O2/c1-5-17(26)24(4)19(2)8-14(9-19)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h5-7,10-12,14H,1,8-9H2,2-4H3
InChIKeyCRHQQIPBUBMXQQ-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.07
Rot. Bonds5

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

N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide (PubChem CID 163301374) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
PubChem CID163301374
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1(C)CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C19H22N6O2/c1-5-17(26)24(4)19(2)8-14(9-19)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h5-7,10-12,14H,1,8-9H2,2-4H3
InChIKeyCRHQQIPBUBMXQQ-UHFFFAOYSA-N
XLogP2.07
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.07
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 225
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US20240083900, Example 2
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US20240083900, Example 175
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US20240083900, Example 214
CID 163301524
US20240083900, Example 185
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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-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide (CID 163301374) is N-methyl-N-[1-methyl-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-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide is C=CC(=O)N(C)C1(C)CC(Oc2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
The InChIKey is CRHQQIPBUBMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-5-17(26)24(4)19(2)8-14(9-19)27-18-16-6-7-20-25(16)12-15(22-18)13-10-21-23(3)11-13/h5-7,10-12,14H,1,8-9H2,2-4H3.
What are the key properties of N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide?
N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide has a molecular weight of 366.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]prop-2-enamide is sourced from PubChem (CID 163301374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).