N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide

C26H26N8O4S — CID 166164520

IUPACN,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1nc(-c2ccccc2)cc1Nc1nc(N2CCOCC2)c2oc(-c3ccncc3)cc2n1
InChIInChI=1S/C26H26N8O4S/c1-32(2)39(35,36)34-23(17-20(31-34)18-6-4-3-5-7-18)29-26-28-21-16-22(19-8-10-27-11-9-19)38-24(21)25(30-26)33-12-14-37-15-13-33/h3-11,16-17H,12-15H2,1-2H3,(H,28,29,30)
InChIKeyWJHHKVRZJYQTGV-UHFFFAOYSA-N
MW546.61 g/mol
LogP3.38
Rot. Bonds7

About N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide

N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide (PubChem CID 166164520) has the molecular formula C26H26N8O4S and a molecular weight of 546.61 g/mol. Its IUPAC name is N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide
PubChem CID166164520
Molecular FormulaC26H26N8O4S
Molecular Weight546.61 g/mol
Exact Mass546.18
IUPAC NameN,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1nc(-c2ccccc2)cc1Nc1nc(N2CCOCC2)c2oc(-c3ccncc3)cc2n1
InChIInChI=1S/C26H26N8O4S/c1-32(2)39(35,36)34-23(17-20(31-34)18-6-4-3-5-7-18)29-26-28-21-16-22(19-8-10-27-11-9-19)38-24(21)25(30-26)33-12-14-37-15-13-33/h3-11,16-17H,12-15H2,1-2H3,(H,28,29,30)
InChIKeyWJHHKVRZJYQTGV-UHFFFAOYSA-N
XLogP3.38
TPSA131.51 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.61
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide with MolForge

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Related Compounds

2-[[1-(dimethylsulfamoyl)-3-phenylpyrazol-5-yl]amino]-N-methylsulfonyl-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
CID 166164460
4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine
CID 166164600
N-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine;hydrochloride
CID 166164944
4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
CID 166738481
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
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
CID 166164628
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
1-methyl-2-(4-morpholin-4-yl-7-pyridin-4-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl)hydrazine
CID 167204673
4-N,4-N-dimethyl-1-N-(4-morpholin-4-ylquinazolin-2-yl)benzene-1,4-diamine;hydrochloride
CID 2972487
2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyrimidin-4-ylfuro[3,2-d]pyrimidine
CID 166164425
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
N-(2,5-dimethoxyphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2975510

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide?
The IUPAC name of 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) is N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide is CN(C)S(=O)(=O)n1nc(-c2ccccc2)cc1Nc1nc(N2CCOCC2)c2oc(-c3ccncc3)cc2n1.
What is the InChIKey of N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide?
The InChIKey is WJHHKVRZJYQTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O4S/c1-32(2)39(35,36)34-23(17-20(31-34)18-6-4-3-5-7-18)29-26-28-21-16-22(19-8-10-27-11-9-19)38-24(21)25(30-26)33-12-14-37-15-13-33/h3-11,16-17H,12-15H2,1-2H3,(H,28,29,30).
What are the key properties of N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide?
N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide has a molecular weight of 546.61 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-yl)amino]-3-phenylpyrazole-1-sulfonamide is sourced from PubChem (CID 166164520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).