2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone

C21H24N4O — CID 148579467

IUPAC2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone
SMILESCC1CCC(C(=O)CC2CC2)CN1c1cc[nH]c2cnc3nccc3c12
InChIInChI=1S/C21H24N4O/c1-13-2-5-15(19(26)10-14-3-4-14)12-25(13)18-7-9-22-17-11-24-21-16(20(17)18)6-8-23-21/h6-9,11,13-15,22H,2-5,10,12H2,1H3
InChIKeyRVYMLZZQVBBEDA-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.09
Rot. Bonds4

About 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone

2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone (PubChem CID 148579467) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone
PubChem CID148579467
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone
SMILESCC1CCC(C(=O)CC2CC2)CN1c1cc[nH]c2cnc3nccc3c12
InChIInChI=1S/C21H24N4O/c1-13-2-5-15(19(26)10-14-3-4-14)12-25(13)18-7-9-22-17-11-24-21-16(20(17)18)6-8-23-21/h6-9,11,13-15,22H,2-5,10,12H2,1H3
InChIKeyRVYMLZZQVBBEDA-UHFFFAOYSA-N
XLogP4.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone (CID 148579467) is 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone is CC1CCC(C(=O)CC2CC2)CN1c1cc[nH]c2cnc3nccc3c12.
What is the InChIKey of 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone?
The InChIKey is RVYMLZZQVBBEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-2-5-15(19(26)10-14-3-4-14)12-25(13)18-7-9-22-17-11-24-21-16(20(17)18)6-8-23-21/h6-9,11,13-15,22H,2-5,10,12H2,1H3.
What are the key properties of 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone?
2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[6-methyl-1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 148579467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).