6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one

C30H29N7O3 — CID 162426583

IUPAC6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(-c3ccc(NC4CCOCC4)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C30H29N7O3/c1-17-12-25(40-35-17)28-26(18-4-6-20(7-5-18)33-21-8-10-39-11-9-21)27-22-13-23(19-14-32-36(2)16-19)34-29(22)31-15-24(27)37(3)30(28)38/h4-7,12-16,21,33H,8-11H2,1-3H3,(H,31,34)
InChIKeyGWWLECGCTGYHEG-UHFFFAOYSA-N
MW535.61 g/mol
LogP5.04
Rot. Bonds5

About 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one

6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one (PubChem CID 162426583) has the molecular formula C30H29N7O3 and a molecular weight of 535.61 g/mol. Its IUPAC name is 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one.

Molecular Properties

Compound Name6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
PubChem CID162426583
Molecular FormulaC30H29N7O3
Molecular Weight535.61 g/mol
Exact Mass535.23
IUPAC Name6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one
SMILESCc1cc(-c2c(-c3ccc(NC4CCOCC4)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1
InChIInChI=1S/C30H29N7O3/c1-17-12-25(40-35-17)28-26(18-4-6-20(7-5-18)33-21-8-10-39-11-9-21)27-22-13-23(19-14-32-36(2)16-19)34-29(22)31-15-24(27)37(3)30(28)38/h4-7,12-16,21,33H,8-11H2,1-3H3,(H,31,34)
InChIKeyGWWLECGCTGYHEG-UHFFFAOYSA-N
XLogP5.04
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The IUPAC name of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one (CID 162426583) is 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one.
What is the SMILES notation for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The canonical SMILES for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one is Cc1cc(-c2c(-c3ccc(NC4CCOCC4)cc3)c3c4cc(-c5cnn(C)c5)[nH]c4ncc3n(C)c2=O)on1.
What is the InChIKey of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
The InChIKey is GWWLECGCTGYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O3/c1-17-12-25(40-35-17)28-26(18-4-6-20(7-5-18)33-21-8-10-39-11-9-21)27-22-13-23(19-14-32-36(2)16-19)34-29(22)31-15-24(27)37(3)30(28)38/h4-7,12-16,21,33H,8-11H2,1-3H3,(H,31,34).
What are the key properties of 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one?
6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one has a molecular weight of 535.61 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-[4-(oxan-4-ylamino)phenyl]-3H-pyrrolo[3,2-f][1,7]naphthyridin-7-one is sourced from PubChem (CID 162426583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).