7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

C26H30FN5O2S — CID 10369766

IUPAC7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)NC(=O)CCS5)CC3)c2n1
InChIInChI=1S/C26H30FN5O2S/c1-34-25-5-3-21-26(31-25)19(20(27)16-29-21)8-12-32-10-6-18(7-11-32)28-15-17-2-4-23-22(14-17)30-24(33)9-13-35-23/h2-5,14,16,18,28H,6-13,15H2,1H3,(H,30,33)
InChIKeySTONYXOUHZBFDV-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.01
Rot. Bonds7

About 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one (PubChem CID 10369766) has the molecular formula C26H30FN5O2S and a molecular weight of 495.62 g/mol. Its IUPAC name is 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
PubChem CID10369766
Molecular FormulaC26H30FN5O2S
Molecular Weight495.62 g/mol
Exact Mass495.21
IUPAC Name7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESCOc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)NC(=O)CCS5)CC3)c2n1
InChIInChI=1S/C26H30FN5O2S/c1-34-25-5-3-21-26(31-25)19(20(27)16-29-21)8-12-32-10-6-18(7-11-32)28-15-17-2-4-23-22(14-17)30-24(33)9-13-35-23/h2-5,14,16,18,28H,6-13,15H2,1H3,(H,30,33)
InChIKeySTONYXOUHZBFDV-UHFFFAOYSA-N
XLogP4.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one with MolForge

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Related Compounds

7-fluoro-6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 10117655
6-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one;oxalic acid
CID 44535742
7-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 44527374
N-[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide;hydrochloride
CID 44527633
(1R)-2-[4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol;hydrochloride
CID 44529192
6-[[[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44529865
4-(3,4-dihydro-2H-1,4-benzothiazin-6-ylmethylamino)-1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 44536089
6-[1-hydroxy-2-[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one;hydrochloride
CID 44536160
6-[1-hydroxy-2-[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one;hydrochloride
CID 44536171
6-[2-[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one;hydrochloride
CID 44536173
6-[[[(3S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-7-methyl-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44529553
6-{[2-(6-methoxy-[1,5]naphthyridin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-ylamino]-methyl}-4H-benzo[1,4]thiazin-3-one
CID 11948382

Frequently Asked Questions

What is the IUPAC name of 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The IUPAC name of 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CID 10369766) is 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
What is the SMILES notation for 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The canonical SMILES for 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one is COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)NC(=O)CCS5)CC3)c2n1.
What is the InChIKey of 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The InChIKey is STONYXOUHZBFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S/c1-34-25-5-3-21-26(31-25)19(20(27)16-29-21)8-12-32-10-6-18(7-11-32)28-15-17-2-4-23-22(14-17)30-24(33)9-13-35-23/h2-5,14,16,18,28H,6-13,15H2,1H3,(H,30,33).
What are the key properties of 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one has a molecular weight of 495.62 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one is sourced from PubChem (CID 10369766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).