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

C24H24N8O3S — CID 118101711

IUPAC3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]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)cn1
InChIInChI=1S/C24H24N8O3S/c1-29-13-16(11-27-29)18-5-4-15(10-25-18)19-6-7-20-22(28-19)23-21(12-26-20)30(2)24(33)32(23)17-8-9-31(14-17)36(3,34)35/h4-7,10-13,17H,8-9,14H2,1-3H3/t17-/m0/s1
InChIKeyISFAMBMLFVNBNT-KRWDZBQOSA-N
MW504.58 g/mol
LogP1.95
Rot. Bonds4

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

3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 118101711) has the molecular formula C24H24N8O3S and a molecular weight of 504.58 g/mol. Its IUPAC name is 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID118101711
Molecular FormulaC24H24N8O3S
Molecular Weight504.58 g/mol
Exact Mass504.17
IUPAC Name3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]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)cn1
InChIInChI=1S/C24H24N8O3S/c1-29-13-16(11-27-29)18-5-4-15(10-25-18)19-6-7-20-22(28-19)23-21(12-26-20)30(2)24(33)32(23)17-8-9-31(14-17)36(3,34)35/h4-7,10-13,17H,8-9,14H2,1-3H3/t17-/m0/s1
InChIKeyISFAMBMLFVNBNT-KRWDZBQOSA-N
XLogP1.95
TPSA120.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one (CID 118101711) is 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]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)cn1.
What is the InChIKey of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ISFAMBMLFVNBNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N8O3S/c1-29-13-16(11-27-29)18-5-4-15(10-25-18)19-6-7-20-22(28-19)23-21(12-26-20)30(2)24(33)32(23)17-8-9-31(14-17)36(3,34)35/h4-7,10-13,17H,8-9,14H2,1-3H3/t17-/m0/s1.
What are the key properties of 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one?
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 504.58 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 118101711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).