2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H21N5O2 — CID 118575151

IUPAC2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N(C)Cc2cc3n(n2)CCN(c2ccccn2)C3=O)cc1
InChIInChI=1S/C20H21N5O2/c1-23(16-6-8-17(27-2)9-7-16)14-15-13-18-20(26)24(11-12-25(18)22-15)19-5-3-4-10-21-19/h3-10,13H,11-12,14H2,1-2H3
InChIKeyIWZJVOXGZYGQLH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575151) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575151
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N(C)Cc2cc3n(n2)CCN(c2ccccn2)C3=O)cc1
InChIInChI=1S/C20H21N5O2/c1-23(16-6-8-17(27-2)9-7-16)14-15-13-18-20(26)24(11-12-25(18)22-15)19-5-3-4-10-21-19/h3-10,13H,11-12,14H2,1-2H3
InChIKeyIWZJVOXGZYGQLH-UHFFFAOYSA-N
XLogP2.58
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-(4-(4-Methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide
CID 44665680
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
N-(4-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3792007
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505509
5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
5-(5-Methoxy-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974348
5-(5-fluoropyridin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 67974411
5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
2-(Phenoxymethyl)-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974497
2-[(3-Fluorophenoxy)methyl]-5-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 70654545
Tert-butyl 4-[1-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024104
N-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]propyl}-2-(6-oxopyrido[2,3-E]pyrrolo[1,2-A]pyrazin-5(6H)-YL)acetamide
CID 22553442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575151) is 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(N(C)Cc2cc3n(n2)CCN(c2ccccn2)C3=O)cc1.
What is the InChIKey of 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IWZJVOXGZYGQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23(16-6-8-17(27-2)9-7-16)14-15-13-18-20(26)24(11-12-25(18)22-15)19-5-3-4-10-21-19/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-N-methylanilino)methyl]-5-pyridin-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).