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(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

C26H30N6O2 — CID 166585450

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(C)cn1
InChIInChI=1S/C26H30N6O2/c1-16-14-29-22(34-4)13-20(16)17(2)25(33)32-11-8-26(15-32)7-6-19-12-21(18(3)30-23(19)31-26)24-27-9-5-10-28-24/h5,9-10,12-14,17H,6-8,11,15H2,1-4H3,(H,30,31)/t17-,26+/m1/s1
InChIKeyPYJZYHLOQKVTKN-QUGAMOGWSA-N
MW458.57 g/mol
LogP3.69
Rot. Bonds4

About (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one

(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (PubChem CID 166585450) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
PubChem CID166585450
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
SMILESCOc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(C)cn1
InChIInChI=1S/C26H30N6O2/c1-16-14-29-22(34-4)13-20(16)17(2)25(33)32-11-8-26(15-32)7-6-19-12-21(18(3)30-23(19)31-26)24-27-9-5-10-28-24/h5,9-10,12-14,17H,6-8,11,15H2,1-4H3,(H,30,31)/t17-,26+/m1/s1
InChIKeyPYJZYHLOQKVTKN-QUGAMOGWSA-N
XLogP3.69
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The IUPAC name of (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one (CID 166585450) is (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is COc1cc([C@@H](C)C(=O)N2CC[C@@]3(CCc4cc(-c5ncccn5)c(C)nc4N3)C2)c(C)cn1.
What is the InChIKey of (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
The InChIKey is PYJZYHLOQKVTKN-QUGAMOGWSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-16-14-29-22(34-4)13-20(16)17(2)25(33)32-11-8-26(15-32)7-6-19-12-21(18(3)30-23(19)31-26)24-27-9-5-10-28-24/h5,9-10,12-14,17H,6-8,11,15H2,1-4H3,(H,30,31)/t17-,26+/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one?
(2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one has a molecular weight of 458.57 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-5-methyl-4-pyridinyl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one is sourced from PubChem (CID 166585450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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