3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

C18H21N5O3 — CID 134806773

IUPAC3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc2n[nH]c(-c3ccc(OC)cc3C)c2n1
InChIInChI=1S/C18H21N5O3/c1-11-9-12(26-3)5-6-13(11)15-16-17(23-22-15)20-10-14(21-16)18(24)19-7-4-8-25-2/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKeyRZIWVMMIPIVPMD-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.10
Rot. Bonds7

About 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (PubChem CID 134806773) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
PubChem CID134806773
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc2n[nH]c(-c3ccc(OC)cc3C)c2n1
InChIInChI=1S/C18H21N5O3/c1-11-9-12(26-3)5-6-13(11)15-16-17(23-22-15)20-10-14(21-16)18(24)19-7-4-8-25-2/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKeyRZIWVMMIPIVPMD-UHFFFAOYSA-N
XLogP2.10
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
1-[(3,4-dimethylphenoxy)methyl]-3-(3-methoxypropyl)urea
CID 108879016
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(3-methoxypropyl)-2-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 167970947
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (CID 134806773) is 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is COCCCNC(=O)c1cnc2n[nH]c(-c3ccc(OC)cc3C)c2n1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
The InChIKey is RZIWVMMIPIVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-9-12(26-3)5-6-13(11)15-16-17(23-22-15)20-10-14(21-16)18(24)19-7-4-8-25-2/h5-6,9-10H,4,7-8H2,1-3H3,(H,19,24)(H,20,22,23).
What are the key properties of 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?
3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is sourced from PubChem (CID 134806773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).