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3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one

C23H23N9O3S — CID 118101823

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

IUPAC3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n([C@H]3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)nn1
InChIInChI=1S/C23H23N9O3S/c1-29-13-19(27-28-29)17-5-4-14(10-24-17)16-6-7-18-21(26-16)22-20(11-25-18)30(2)23(33)32(22)15-8-9-31(12-15)36(3,34)35/h4-7,10-11,13,15H,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyTXDVWHNRKCELPU-HNNXBMFYSA-N
MW505.56 g/mol
LogP1.35
Rot. Bonds4

About 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one

3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 118101823) has the molecular formula C23H23N9O3S and a molecular weight of 505.56 g/mol. Its IUPAC name is 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID118101823
Molecular FormulaC23H23N9O3S
Molecular Weight505.56 g/mol
Exact Mass505.16
IUPAC Name3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n([C@H]3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)nn1
InChIInChI=1S/C23H23N9O3S/c1-29-13-19(27-28-29)17-5-4-14(10-24-17)16-6-7-18-21(26-16)22-20(11-25-18)30(2)23(33)32(22)15-8-9-31(12-15)36(3,34)35/h4-7,10-11,13,15H,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyTXDVWHNRKCELPU-HNNXBMFYSA-N
XLogP1.35
TPSA133.69 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one (CID 118101823) is 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one is Cn1cc(-c2ccc(-c3ccc4ncc5c(c4n3)n([C@H]3CCN(S(C)(=O)=O)C3)c(=O)n5C)cn2)nn1.
What is the InChIKey of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is TXDVWHNRKCELPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N9O3S/c1-29-13-19(27-28-29)17-5-4-14(10-24-17)16-6-7-18-21(26-16)22-20(11-25-18)30(2)23(33)32(22)15-8-9-31(12-15)36(3,34)35/h4-7,10-11,13,15H,8-9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 505.56 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 118101823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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