8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one

C23H27N5O2 — CID 123759933

IUPAC8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OCC(N)CC(C)C)c(-n3cccn3)cc21
InChIInChI=1S/C23H27N5O2/c1-14(2)10-16(24)13-30-21-12-19-18(11-20(21)28-9-5-7-26-28)17-6-8-25-15(3)22(17)23(29)27(19)4/h5-9,11-12,14,16H,10,13,24H2,1-4H3
InChIKeyIMXJOLDEQNAXKK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.33
Rot. Bonds6

About 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one

8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one (PubChem CID 123759933) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one
PubChem CID123759933
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OCC(N)CC(C)C)c(-n3cccn3)cc21
InChIInChI=1S/C23H27N5O2/c1-14(2)10-16(24)13-30-21-12-19-18(11-20(21)28-9-5-7-26-28)17-6-8-25-15(3)22(17)23(29)27(19)4/h5-9,11-12,14,16H,10,13,24H2,1-4H3
InChIKeyIMXJOLDEQNAXKK-UHFFFAOYSA-N
XLogP3.33
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
Irsenontrine
CID 136253996
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 86342042
US9951086, Example 68
CID 118173098
7-Ethoxy-4-(2-fluoro-4-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 24757965
4-(2,4-Difluoroanilino)-7-(2-methoxyethoxy)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 24757966
4-(2-Fluoro-5-methylanilino)-7-(2-methoxyethoxy)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 24759663
7-Ethoxy-4-(2-fluoro-5-methylanilino)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 24759666
4-(2-Fluoro-4-methylanilino)-7-(2-methoxyethoxy)-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 25196164
4-(2,5-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44570645
4-(2,4-Difluoroanilino)-6-(4-methylpiperazin-1-yl)-7-propan-2-yloxyquinoline-3-carboxamide
CID 44570689
4-(2,4-Difluorophenylamino)-7-methoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571022

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one (CID 123759933) is 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one is Cc1nccc2c1c(=O)n(C)c1cc(OCC(N)CC(C)C)c(-n3cccn3)cc21.
What is the InChIKey of 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one?
The InChIKey is IMXJOLDEQNAXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14(2)10-16(24)13-30-21-12-19-18(11-20(21)28-9-5-7-26-28)17-6-8-25-15(3)22(17)23(29)27(19)4/h5-9,11-12,14,16H,10,13,24H2,1-4H3.
What are the key properties of 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one?
8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one has a molecular weight of 405.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 123759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).