1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol

C20H21N5O — CID 170968016

IUPAC1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1cc(C)c(-c2cc3cnc(NC)cc3n3ccnc23)cn1
InChIInChI=1S/C20H21N5O/c1-4-18(26)16-7-12(2)15(11-23-16)14-8-13-10-24-19(21-3)9-17(13)25-6-5-22-20(14)25/h5-11,18,26H,4H2,1-3H3,(H,21,24)
InChIKeyVDUIOROOVZIQKG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.74
Rot. Bonds4

About 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol

1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol (PubChem CID 170968016) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol
PubChem CID170968016
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1cc(C)c(-c2cc3cnc(NC)cc3n3ccnc23)cn1
InChIInChI=1S/C20H21N5O/c1-4-18(26)16-7-12(2)15(11-23-16)14-8-13-10-24-19(21-3)9-17(13)25-6-5-22-20(14)25/h5-11,18,26H,4H2,1-3H3,(H,21,24)
InChIKeyVDUIOROOVZIQKG-UHFFFAOYSA-N
XLogP3.74
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol (CID 170968016) is 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol is CCC(O)c1cc(C)c(-c2cc3cnc(NC)cc3n3ccnc23)cn1.
What is the InChIKey of 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol?
The InChIKey is VDUIOROOVZIQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-4-18(26)16-7-12(2)15(11-23-16)14-8-13-10-24-19(21-3)9-17(13)25-6-5-22-20(14)25/h5-11,18,26H,4H2,1-3H3,(H,21,24).
What are the key properties of 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol?
1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol has a molecular weight of 347.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 170968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).