6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C18H18N4O2 — CID 18445754

IUPAC6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3ncccc3C)c1C2
InChIInChI=1S/C18H18N4O2/c1-10-5-4-6-19-17(10)20-18-13-7-11-8-14(23-2)15(24-3)9-12(11)16(13)21-22-18/h4-6,8-9H,7H2,1-3H3,(H2,19,20,21,22)
InChIKeyYSNOKBYJYHLOFH-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.45
Rot. Bonds4

About 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445754) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445754
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3ncccc3C)c1C2
InChIInChI=1S/C18H18N4O2/c1-10-5-4-6-19-17(10)20-18-13-7-11-8-14(23-2)15(24-3)9-12(11)16(13)21-22-18/h4-6,8-9H,7H2,1-3H3,(H2,19,20,21,22)
InChIKeyYSNOKBYJYHLOFH-UHFFFAOYSA-N
XLogP3.45
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445754) is 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(Nc3ncccc3C)c1C2.
What is the InChIKey of 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is YSNOKBYJYHLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-10-5-4-6-19-17(10)20-18-13-7-11-8-14(23-2)15(24-3)9-12(11)16(13)21-22-18/h4-6,8-9H,7H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 322.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).