1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one

C23H28N4O — CID 174702373

IUPAC1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one
SMILESCCC(=O)C1CCC(c2cc[nH]c3cnc4nccc4c23)CC1N(C)C1CC1
InChIInChI=1S/C23H28N4O/c1-3-21(28)17-7-4-14(12-20(17)27(2)15-5-6-15)16-8-10-24-19-13-26-23-18(22(16)19)9-11-25-23/h8-11,13-15,17,20,24H,3-7,12H2,1-2H3
InChIKeyWQRQYSXVXOSJPF-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.44
Rot. Bonds5

About 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one

1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one (PubChem CID 174702373) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one
PubChem CID174702373
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one
SMILESCCC(=O)C1CCC(c2cc[nH]c3cnc4nccc4c23)CC1N(C)C1CC1
InChIInChI=1S/C23H28N4O/c1-3-21(28)17-7-4-14(12-20(17)27(2)15-5-6-15)16-8-10-24-19-13-26-23-18(22(16)19)9-11-25-23/h8-11,13-15,17,20,24H,3-7,12H2,1-2H3
InChIKeyWQRQYSXVXOSJPF-UHFFFAOYSA-N
XLogP4.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one (CID 174702373) is 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one is CCC(=O)C1CCC(c2cc[nH]c3cnc4nccc4c23)CC1N(C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one?
The InChIKey is WQRQYSXVXOSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-21(28)17-7-4-14(12-20(17)27(2)15-5-6-15)16-8-10-24-19-13-26-23-18(22(16)19)9-11-25-23/h8-11,13-15,17,20,24H,3-7,12H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one?
1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one has a molecular weight of 376.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)cyclohexyl]propan-1-one is sourced from PubChem (CID 174702373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).