5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile

C22H27N7O2 — CID 3416644

IUPAC5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
SMILESCC1CN(c2nc(N)c3c(N)nc4c(c3c2C#N)CC(=O)N4C2CCCC2)CC(C)O1
InChIInChI=1S/C22H27N7O2/c1-11-9-28(10-12(2)31-11)21-15(8-23)17-14-7-16(30)29(13-5-3-4-6-13)22(14)27-20(25)18(17)19(24)26-21/h11-13H,3-7,9-10H2,1-2H3,(H2,24,26)(H2,25,27)
InChIKeySIVXBDUZBDVVAN-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.11
Rot. Bonds2

About 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile

5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (PubChem CID 3416644) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.

Molecular Properties

Compound Name5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
PubChem CID3416644
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
SMILESCC1CN(c2nc(N)c3c(N)nc4c(c3c2C#N)CC(=O)N4C2CCCC2)CC(C)O1
InChIInChI=1S/C22H27N7O2/c1-11-9-28(10-12(2)31-11)21-15(8-23)17-14-7-16(30)29(13-5-3-4-6-13)22(14)27-20(25)18(17)19(24)26-21/h11-13H,3-7,9-10H2,1-2H3,(H2,24,26)(H2,25,27)
InChIKeySIVXBDUZBDVVAN-UHFFFAOYSA-N
XLogP2.11
TPSA134.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The IUPAC name of 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (CID 3416644) is 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.
What is the SMILES notation for 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The canonical SMILES for 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is CC1CN(c2nc(N)c3c(N)nc4c(c3c2C#N)CC(=O)N4C2CCCC2)CC(C)O1.
What is the InChIKey of 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The InChIKey is SIVXBDUZBDVVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-11-9-28(10-12(2)31-11)21-15(8-23)17-14-7-16(30)29(13-5-3-4-6-13)22(14)27-20(25)18(17)19(24)26-21/h11-13H,3-7,9-10H2,1-2H3,(H2,24,26)(H2,25,27).
What are the key properties of 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile has a molecular weight of 421.51 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-cyclopentyl-8-(2,6-dimethylmorpholin-4-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is sourced from PubChem (CID 3416644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).