6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide

C19H15ClF2N6O4S — CID 170742562

IUPAC6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide
SMILESCOc1nc(NS(=O)c2c[nH]c3c(-c4cnccn4)c(Cl)ccc23)nc(OC)c1OC(F)F
InChIInChI=1S/C19H15ClF2N6O4S/c1-30-16-15(32-18(21)22)17(31-2)27-19(26-16)28-33(29)12-8-25-14-9(12)3-4-10(20)13(14)11-7-23-5-6-24-11/h3-8,18,25H,1-2H3,(H,26,27,28)
InChIKeyZBFBNWHVOHVPHA-UHFFFAOYSA-N
MW496.88 g/mol
LogP3.82
Rot. Bonds8

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

6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide (PubChem CID 170742562) has the molecular formula C19H15ClF2N6O4S and a molecular weight of 496.88 g/mol. Its IUPAC name is 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide.

Molecular Properties

Compound Name6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide
PubChem CID170742562
Molecular FormulaC19H15ClF2N6O4S
Molecular Weight496.88 g/mol
Exact Mass496.05
IUPAC Name6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide
SMILESCOc1nc(NS(=O)c2c[nH]c3c(-c4cnccn4)c(Cl)ccc23)nc(OC)c1OC(F)F
InChIInChI=1S/C19H15ClF2N6O4S/c1-30-16-15(32-18(21)22)17(31-2)27-19(26-16)28-33(29)12-8-25-14-9(12)3-4-10(20)13(14)11-7-23-5-6-24-11/h3-8,18,25H,1-2H3,(H,26,27,28)
InChIKeyZBFBNWHVOHVPHA-UHFFFAOYSA-N
XLogP3.82
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.88
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-4-yl-1H-indole-3-sulfinamide
CID 170742522
6-chloro-N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfinamide
CID 170742675
N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-fluoro-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989434
N-[4-butan-2-yl-5-(2,2-difluoroethoxy)-6-methoxypyrimidin-2-yl]-6-chloro-7-(1,3-oxazol-5-yl)-1H-indole-3-sulfinamide
CID 170742495
6-bromo-N-[5-(2,2-difluoroethoxy)-4-methoxy-6-methylpyrimidin-2-yl]-7-pyrimidin-2-yl-1H-indole-3-sulfinamide;ethane
CID 170742516
6-chloro-N-[5-(2,2-difluoroethoxy)-4-methoxy-6-methylpyrimidin-2-yl]-7-(3-fluoropyrazol-1-yl)-1H-indole-3-sulfinamide;ethane
CID 170742732
6-bromo-N-[5-(2,2-difluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989453
N-[(6-chloro-7-pyrazol-1-yl-1H-indol-3-yl)sulfanyl]-5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-amine
CID 170742769
N-[5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfonamide
CID 175989421
N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-6-propyl-1H-indole-3-sulfinamide
CID 164908277
6-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955
6-chloro-N-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-fluoro-1H-indole-3-sulfonamide
CID 164908180

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide?
The IUPAC name of 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide (CID 170742562) is 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide.
What is the SMILES notation for 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide?
The canonical SMILES for 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide is COc1nc(NS(=O)c2c[nH]c3c(-c4cnccn4)c(Cl)ccc23)nc(OC)c1OC(F)F.
What is the InChIKey of 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide?
The InChIKey is ZBFBNWHVOHVPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N6O4S/c1-30-16-15(32-18(21)22)17(31-2)27-19(26-16)28-33(29)12-8-25-14-9(12)3-4-10(20)13(14)11-7-23-5-6-24-11/h3-8,18,25H,1-2H3,(H,26,27,28).
What are the key properties of 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide?
6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide has a molecular weight of 496.88 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-7-pyrazin-2-yl-1H-indole-3-sulfinamide is sourced from PubChem (CID 170742562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).