3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol

C22H21N5O2 — CID 146463080

IUPAC3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol
SMILESC/C(=N\c1cc2n(n1)CCOC2)c1c(O)[nH]c2ccc(-c3cnccc3C)cc12
InChIInChI=1S/C22H21N5O2/c1-13-5-6-23-11-18(13)15-3-4-19-17(9-15)21(22(28)25-19)14(2)24-20-10-16-12-29-8-7-27(16)26-20/h3-6,9-11,25,28H,7-8,12H2,1-2H3/b24-14+
InChIKeySCSPTZAWKHZGDD-ZVHZXABRSA-N
MW387.44 g/mol
LogP4.11
Rot. Bonds3

About 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol

3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol (PubChem CID 146463080) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol
PubChem CID146463080
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol
SMILESC/C(=N\c1cc2n(n1)CCOC2)c1c(O)[nH]c2ccc(-c3cnccc3C)cc12
InChIInChI=1S/C22H21N5O2/c1-13-5-6-23-11-18(13)15-3-4-19-17(9-15)21(22(28)25-19)14(2)24-20-10-16-12-29-8-7-27(16)26-20/h3-6,9-11,25,28H,7-8,12H2,1-2H3/b24-14+
InChIKeySCSPTZAWKHZGDD-ZVHZXABRSA-N
XLogP4.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol?
The IUPAC name of 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol (CID 146463080) is 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol.
What is the SMILES notation for 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol?
The canonical SMILES for 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol is C/C(=N\c1cc2n(n1)CCOC2)c1c(O)[nH]c2ccc(-c3cnccc3C)cc12.
What is the InChIKey of 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol?
The InChIKey is SCSPTZAWKHZGDD-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-13-5-6-23-11-18(13)15-3-4-19-17(9-15)21(22(28)25-19)14(2)24-20-10-16-12-29-8-7-27(16)26-20/h3-6,9-11,25,28H,7-8,12H2,1-2H3/b24-14+.
What are the key properties of 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol?
3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol has a molecular weight of 387.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-indol-2-ol is sourced from PubChem (CID 146463080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).