2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

C23H26N8O7S2 — CID 166164460

IUPAC2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
SMILESCN(C)S(=O)(=O)n1nc(-c2ccccc2)cc1Nc1nc(N2CCOCC2)c2oc(C(=O)NS(C)(=O)=O)cc2n1
InChIInChI=1S/C23H26N8O7S2/c1-29(2)40(35,36)31-19(14-16(27-31)15-7-5-4-6-8-15)25-23-24-17-13-18(22(32)28-39(3,33)34)38-20(17)21(26-23)30-9-11-37-12-10-30/h4-8,13-14H,9-12H2,1-3H3,(H,28,32)(H,24,25,26)
InChIKeyYGICXVIDBMFJQU-UHFFFAOYSA-N
MW590.64 g/mol
LogP1.01
Rot. Bonds8

About 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166164460) has the molecular formula C23H26N8O7S2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
PubChem CID166164460
Molecular FormulaC23H26N8O7S2
Molecular Weight590.64 g/mol
Exact Mass590.14
IUPAC Name2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
SMILESCN(C)S(=O)(=O)n1nc(-c2ccccc2)cc1Nc1nc(N2CCOCC2)c2oc(C(=O)NS(C)(=O)=O)cc2n1
InChIInChI=1S/C23H26N8O7S2/c1-29(2)40(35,36)31-19(14-16(27-31)15-7-5-4-6-8-15)25-23-24-17-13-18(22(32)28-39(3,33)34)38-20(17)21(26-23)30-9-11-37-12-10-30/h4-8,13-14H,9-12H2,1-3H3,(H,28,32)(H,24,25,26)
InChIKeyYGICXVIDBMFJQU-UHFFFAOYSA-N
XLogP1.01
TPSA181.86 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Related Compounds

N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide
CID 166164520
6-[[2-methoxyethyl(methyl)amino]methyl]-4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
CID 168728066
N-methyl-4-morpholin-4-yl-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]furo[3,2-d]pyrimidine-6-carboxamide
CID 166738347
4-morpholin-4-yl-6-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]-N-(4-phenyl-1,3-oxazol-2-yl)furo[3,2-d]pyrimidin-2-amine
CID 166164854
4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine
CID 166164600
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxylic acid
CID 166164831
4-morpholin-4-yl-N-(oxan-4-yl)-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738354
N-cyclopropyl-2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 168728145
N-(1-methylpiperidin-3-yl)-4-morpholin-4-yl-2-(4-phenylpyrazol-1-yl)furo[3,2-d]pyrimidine-6-carboxamide
CID 166738351
7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine-2-carboxylic acid
CID 166156177
N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166738424
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122356821

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (CID 166164460) is 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is CN(C)S(=O)(=O)n1nc(-c2ccccc2)cc1Nc1nc(N2CCOCC2)c2oc(C(=O)NS(C)(=O)=O)cc2n1.
What is the InChIKey of 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is YGICXVIDBMFJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O7S2/c1-29(2)40(35,36)31-19(14-16(27-31)15-7-5-4-6-8-15)25-23-24-17-13-18(22(32)28-39(3,33)34)38-20(17)21(26-23)30-9-11-37-12-10-30/h4-8,13-14H,9-12H2,1-3H3,(H,28,32)(H,24,25,26).
What are the key properties of 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?
2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 590.64 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166164460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).