2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide

C19H22N6O2 — CID 110242284

IUPAC2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1nc(C2CCNC2)c2nccnc21
InChIInChI=1S/C19H22N6O2/c1-27-15-5-3-2-4-14(15)19(26)23-10-11-25-18-17(21-8-9-22-18)16(24-25)13-6-7-20-12-13/h2-5,8-9,13,20H,6-7,10-12H2,1H3,(H,23,26)
InChIKeyDWBNMSDHCBKZGL-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.34
Rot. Bonds6

About 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide

2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide (PubChem CID 110242284) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
PubChem CID110242284
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1nc(C2CCNC2)c2nccnc21
InChIInChI=1S/C19H22N6O2/c1-27-15-5-3-2-4-14(15)19(26)23-10-11-25-18-17(21-8-9-22-18)16(24-25)13-6-7-20-12-13/h2-5,8-9,13,20H,6-7,10-12H2,1H3,(H,23,26)
InChIKeyDWBNMSDHCBKZGL-UHFFFAOYSA-N
XLogP1.34
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
CID 92600515
N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
CID 110242274
2-(2-methoxyphenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92601567
N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 110246025
3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 92552232
(2S)-2-(4-methylphenoxy)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
CID 92557951
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethanamine
CID 92596355
2-cyclohexyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92577975
2-(2-methoxy-5-methylphenyl)-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-1-yl)ethyl]acetamide
CID 110242113
(1R)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 92577959
2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide
CID 110242328
3-(4-methoxyphenyl)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
CID 92595651

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide (CID 110242284) is 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCn1nc(C2CCNC2)c2nccnc21.
What is the InChIKey of 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
The InChIKey is DWBNMSDHCBKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-15-5-3-2-4-14(15)19(26)23-10-11-25-18-17(21-8-9-22-18)16(24-25)13-6-7-20-12-13/h2-5,8-9,13,20H,6-7,10-12H2,1H3,(H,23,26).
What are the key properties of 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide?
2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide has a molecular weight of 366.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 110242284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).