N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide

C20H18F2N6O4S — CID 175989421

IUPACN-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-c4cnccn4)cccc23)nc(OC)c1CC(F)F
InChIInChI=1S/C20H18F2N6O4S/c1-31-18-13(8-16(21)22)19(32-2)27-20(26-18)28-33(29,30)15-10-25-17-11(4-3-5-12(15)17)14-9-23-6-7-24-14/h3-7,9-10,16,25H,8H2,1-2H3,(H,26,27,28)
InChIKeyCMYLWMHMBIXADX-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.04
Rot. Bonds8

About N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide

N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide (PubChem CID 175989421) has the molecular formula C20H18F2N6O4S and a molecular weight of 476.47 g/mol. Its IUPAC name is N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
PubChem CID175989421
Molecular FormulaC20H18F2N6O4S
Molecular Weight476.47 g/mol
Exact Mass476.11
IUPAC NameN-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-c4cnccn4)cccc23)nc(OC)c1CC(F)F
InChIInChI=1S/C20H18F2N6O4S/c1-31-18-13(8-16(21)22)19(32-2)27-20(26-18)28-33(29,30)15-10-25-17-11(4-3-5-12(15)17)14-9-23-6-7-24-14/h3-7,9-10,16,25H,8H2,1-2H3,(H,26,27,28)
InChIKeyCMYLWMHMBIXADX-UHFFFAOYSA-N
XLogP3.04
TPSA131.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-butan-2-yl-5-(2,2-difluoroethyl)-6-methoxy-N-[(7-pyrazin-2-yl-1H-indol-3-yl)sulfanyl]pyrimidin-2-amine
CID 170742598
N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989434
N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfonamide
CID 175989472
6-bromo-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989453
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-6,8-dihydro-1H-furo[3,4-g]indole-3-sulfonamide
CID 164908427
7-pyrazin-2-yl-1H-indole-3-sulfonyl chloride
CID 170742496
6-bromo-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 164907896
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 164908180
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-methylsulfanyl-1H-indole-3-sulfonamide
CID 164907898
6-chloro-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 169225712
6-chloro-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-(5-methylpyrazol-1-yl)-1H-indole-3-sulfonamide
CID 175981651
N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-6-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 169225632

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
The IUPAC name of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide (CID 175989421) is N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
The canonical SMILES for N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(-c4cnccn4)cccc23)nc(OC)c1CC(F)F.
What is the InChIKey of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
The InChIKey is CMYLWMHMBIXADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O4S/c1-31-18-13(8-16(21)22)19(32-2)27-20(26-18)28-33(29,30)15-10-25-17-11(4-3-5-12(15)17)14-9-23-6-7-24-14/h3-7,9-10,16,25H,8H2,1-2H3,(H,26,27,28).
What are the key properties of N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide?
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide has a molecular weight of 476.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 175989421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).