1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one

C28H26N8O2S — CID 134148884

IUPAC1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one
SMILESCC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4c(=O)[nH]c5cnc(-c6ccncc6)cc5c43)cc2s1
InChIInChI=1S/C28H26N8O2S/c1-17(15-35-8-10-38-11-9-35)32-28-34-21-3-2-19(12-24(21)39-28)36-16-31-25-26(36)20-13-22(18-4-6-29-7-5-18)30-14-23(20)33-27(25)37/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,32,34)(H,33,37)
InChIKeyABQRVZUSMIDFJZ-UHFFFAOYSA-N
MW538.64 g/mol
LogP4.07
Rot. Bonds6

About 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one

1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one (PubChem CID 134148884) has the molecular formula C28H26N8O2S and a molecular weight of 538.64 g/mol. Its IUPAC name is 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one.

Molecular Properties

Compound Name1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one
PubChem CID134148884
Molecular FormulaC28H26N8O2S
Molecular Weight538.64 g/mol
Exact Mass538.19
IUPAC Name1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one
SMILESCC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4c(=O)[nH]c5cnc(-c6ccncc6)cc5c43)cc2s1
InChIInChI=1S/C28H26N8O2S/c1-17(15-35-8-10-38-11-9-35)32-28-34-21-3-2-19(12-24(21)39-28)36-16-31-25-26(36)20-13-22(18-4-6-29-7-5-18)30-14-23(20)33-27(25)37/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,32,34)(H,33,37)
InChIKeyABQRVZUSMIDFJZ-UHFFFAOYSA-N
XLogP4.07
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.64
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one?
The IUPAC name of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one (CID 134148884) is 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one.
What is the SMILES notation for 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one?
The canonical SMILES for 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one is CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4c(=O)[nH]c5cnc(-c6ccncc6)cc5c43)cc2s1.
What is the InChIKey of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one?
The InChIKey is ABQRVZUSMIDFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O2S/c1-17(15-35-8-10-38-11-9-35)32-28-34-21-3-2-19(12-24(21)39-28)36-16-31-25-26(36)20-13-22(18-4-6-29-7-5-18)30-14-23(20)33-27(25)37/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,32,34)(H,33,37).
What are the key properties of 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one?
1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one has a molecular weight of 538.64 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-morpholin-4-ylpropan-2-ylamino)-1,3-benzothiazol-6-yl]-8-pyridin-4-yl-5H-imidazo[4,5-c][1,7]naphthyridin-4-one is sourced from PubChem (CID 134148884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).