N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide

C26H21N5O2 — CID 71815907

IUPACN-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1C
InChIInChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32)
InChIKeyVUDJPBPVCUEFHU-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.37
Rot. Bonds4

About N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide

N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide (PubChem CID 71815907) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
PubChem CID71815907
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1C
InChIInChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32)
InChIKeyVUDJPBPVCUEFHU-UHFFFAOYSA-N
XLogP4.37
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 11690363
c-Met Inhibitor D6808
CID 165437862
Dihydropyrrolopyrazole, 9
CID 10203646
1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
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N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 165430631
4-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
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(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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4'-Methyl-N-[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl][1,1'-biphenyl]-4-carboxamide
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QL-Xii-03
CID 73776206

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide (CID 71815907) is N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1C.
What is the InChIKey of N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
The InChIKey is VUDJPBPVCUEFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-4-24(32)29-23-12-20(8-5-16(23)2)31-25(33)10-7-18-13-27-22-9-6-17(11-21(22)26(18)31)19-14-28-30(3)15-19/h4-15H,1H2,2-3H3,(H,29,32).
What are the key properties of N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide?
N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide has a molecular weight of 435.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 71815907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).