8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile

C24H24FN7O2S — CID 118568427

IUPAC8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2nccc3cc(C#N)cnc23)nc1[C@]1(C)CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1
InChIInChI=1S/C24H24FN7O2S/c1-14-3-6-18(31-21-19-16(7-8-28-21)9-15(10-26)11-29-19)30-20(14)23(2)13-35(33,34)24(12-25,17-4-5-17)22(27)32-23/h3,6-9,11,17H,4-5,12-13H2,1-2H3,(H2,27,32)(H,28,30,31)/t23-,24-/m0/s1
InChIKeyRFERYZHFJUOUPR-ZEQRLZLVSA-N
MW493.57 g/mol
LogP3.07
Rot. Bonds5

About 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile

8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile (PubChem CID 118568427) has the molecular formula C24H24FN7O2S and a molecular weight of 493.57 g/mol. Its IUPAC name is 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile
PubChem CID118568427
Molecular FormulaC24H24FN7O2S
Molecular Weight493.57 g/mol
Exact Mass493.17
IUPAC Name8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile
SMILESCc1ccc(Nc2nccc3cc(C#N)cnc23)nc1[C@]1(C)CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1
InChIInChI=1S/C24H24FN7O2S/c1-14-3-6-18(31-21-19-16(7-8-28-21)9-15(10-26)11-29-19)30-20(14)23(2)13-35(33,34)24(12-25,17-4-5-17)22(27)32-23/h3,6-9,11,17H,4-5,12-13H2,1-2H3,(H2,27,32)(H,28,30,31)/t23-,24-/m0/s1
InChIKeyRFERYZHFJUOUPR-ZEQRLZLVSA-N
XLogP3.07
TPSA147.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile (CID 118568427) is 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile is Cc1ccc(Nc2nccc3cc(C#N)cnc23)nc1[C@]1(C)CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1.
What is the InChIKey of 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile?
The InChIKey is RFERYZHFJUOUPR-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H24FN7O2S/c1-14-3-6-18(31-21-19-16(7-8-28-21)9-15(10-26)11-29-19)30-20(14)23(2)13-35(33,34)24(12-25,17-4-5-17)22(27)32-23/h3,6-9,11,17H,4-5,12-13H2,1-2H3,(H2,27,32)(H,28,30,31)/t23-,24-/m0/s1.
What are the key properties of 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile?
8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile has a molecular weight of 493.57 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-[(3R,6S)-5-amino-6-cyclopropyl-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-methyl-2-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 118568427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).