5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide

C22H25N9O2S — CID 166484741

IUPAC5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide
SMILES[H]N=[S@](=O)(c1ccc(Nc2nc(NC)c(-c3cncc4c3ncn4C)nc2C(N)=O)cc1)C(C)C
InChIInChI=1S/C22H25N9O2S/c1-12(2)34(24,33)14-7-5-13(6-8-14)28-22-19(20(23)32)29-18(21(25-3)30-22)15-9-26-10-16-17(15)27-11-31(16)4/h5-12,24H,1-4H3,(H2,23,32)(H2,25,28,30)/t34-/m1/s1
InChIKeyFTMLQXAVSYTOLC-UUWRZZSWSA-N
MW479.57 g/mol
LogP3.12
Rot. Bonds7

About 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide

5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide (PubChem CID 166484741) has the molecular formula C22H25N9O2S and a molecular weight of 479.57 g/mol. Its IUPAC name is 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide
PubChem CID166484741
Molecular FormulaC22H25N9O2S
Molecular Weight479.57 g/mol
Exact Mass479.19
IUPAC Name5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide
SMILES[H]N=[S@](=O)(c1ccc(Nc2nc(NC)c(-c3cncc4c3ncn4C)nc2C(N)=O)cc1)C(C)C
InChIInChI=1S/C22H25N9O2S/c1-12(2)34(24,33)14-7-5-13(6-8-14)28-22-19(20(23)32)29-18(21(25-3)30-22)15-9-26-10-16-17(15)27-11-31(16)4/h5-12,24H,1-4H3,(H2,23,32)(H2,25,28,30)/t34-/m1/s1
InChIKeyFTMLQXAVSYTOLC-UUWRZZSWSA-N
XLogP3.12
TPSA164.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide (CID 166484741) is 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide is [H]N=[S@](=O)(c1ccc(Nc2nc(NC)c(-c3cncc4c3ncn4C)nc2C(N)=O)cc1)C(C)C.
What is the InChIKey of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide?
The InChIKey is FTMLQXAVSYTOLC-UUWRZZSWSA-N. The full InChI is InChI=1S/C22H25N9O2S/c1-12(2)34(24,33)14-7-5-13(6-8-14)28-22-19(20(23)32)29-18(21(25-3)30-22)15-9-26-10-16-17(15)27-11-31(16)4/h5-12,24H,1-4H3,(H2,23,32)(H2,25,28,30)/t34-/m1/s1.
What are the key properties of 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide?
5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(propan-2-ylsulfonimidoyl)anilino]pyrazine-2-carboxamide is sourced from PubChem (CID 166484741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).