N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide

C20H21FN6O5S — CID 175981658

IUPACN-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-n4cccn4)c(C)ccc23)nc(OC)c1OCCF
InChIInChI=1S/C20H21FN6O5S/c1-12-5-6-13-14(11-22-15(13)16(12)27-9-4-8-23-27)33(28,29)26-20-24-18(30-2)17(32-10-7-21)19(25-20)31-3/h4-6,8-9,11,22H,7,10H2,1-3H3,(H,24,25,26)
InChIKeyHGWOMOPKEKCWKA-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.62
Rot. Bonds9

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

N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide (PubChem CID 175981658) has the molecular formula C20H21FN6O5S and a molecular weight of 476.49 g/mol. Its IUPAC name is N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide
PubChem CID175981658
Molecular FormulaC20H21FN6O5S
Molecular Weight476.49 g/mol
Exact Mass476.13
IUPAC NameN-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide
SMILESCOc1nc(NS(=O)(=O)c2c[nH]c3c(-n4cccn4)c(C)ccc23)nc(OC)c1OCCF
InChIInChI=1S/C20H21FN6O5S/c1-12-5-6-13-14(11-22-15(13)16(12)27-9-4-8-23-27)33(28,29)26-20-24-18(30-2)17(32-10-7-21)19(25-20)31-3/h4-6,8-9,11,22H,7,10H2,1-3H3,(H,24,25,26)
InChIKeyHGWOMOPKEKCWKA-UHFFFAOYSA-N
XLogP2.62
TPSA133.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

US20240025883, Example 235
CID 164907886
US20240025883, Example 250
CID 164908127
US20240025883, Example 53
CID 164908359
US20240025883, Example 91
CID 169225613
US20240025883, Example 102
CID 169225625
US20240025883, Example 257
CID 169225628
US20240025883, Example 256
CID 169225631
US20240025883, Example 103
CID 169225636
US20240025883, Example 131
CID 169225644
US20240025883, Example 247
CID 169225664
US20240025883, Example 100
CID 169225669
US20240025883, Example 87
CID 169225681

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide?
The IUPAC name of N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide (CID 175981658) is N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide?
The canonical SMILES for N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide is COc1nc(NS(=O)(=O)c2c[nH]c3c(-n4cccn4)c(C)ccc23)nc(OC)c1OCCF.
What is the InChIKey of N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide?
The InChIKey is HGWOMOPKEKCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O5S/c1-12-5-6-13-14(11-22-15(13)16(12)27-9-4-8-23-27)33(28,29)26-20-24-18(30-2)17(32-10-7-21)19(25-20)31-3/h4-6,8-9,11,22H,7,10H2,1-3H3,(H,24,25,26).
What are the key properties of N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide?
N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide has a molecular weight of 476.49 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoroethoxy)-4,6-dimethoxypyrimidin-2-yl]-6-methyl-7-pyrazol-1-yl-1H-indole-3-sulfonamide is sourced from PubChem (CID 175981658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).