4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane

C40H34Br2ClF2N9O4S2 — CID 158544514

IUPAC4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane
SMILESC.CNS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=S(=O)(Cl)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H17BrFN5O2S.C19H13BrClFN4O2S.CH4/c1-23-30(28,29)14-8-6-13(7-9-14)11-24-19-10-18(15-4-2-3-5-17(15)22)26-20-16(21)12-25-27(19)20;20-15-11-24-26-18(23-10-12-5-7-13(8-6-12)29(21,27)28)9-17(25-19(15)26)14-3-1-2-4-16(14)22;/h2-10,12,23-24H,11H2,1H3;1-9,11,23H,10H2;1H4
InChIKeyHOYCSQDPNUYTSD-UHFFFAOYSA-N
MW1002.16 g/mol
LogP9.29
Rot. Bonds11

About 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane

4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane (PubChem CID 158544514) has the molecular formula C40H34Br2ClF2N9O4S2 and a molecular weight of 1002.16 g/mol. Its IUPAC name is 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane.

Molecular Properties

Compound Name4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane
PubChem CID158544514
Molecular FormulaC40H34Br2ClF2N9O4S2
Molecular Weight1002.16 g/mol
Exact Mass999.02
IUPAC Name4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane
SMILESC.CNS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=S(=O)(Cl)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H17BrFN5O2S.C19H13BrClFN4O2S.CH4/c1-23-30(28,29)14-8-6-13(7-9-14)11-24-19-10-18(15-4-2-3-5-17(15)22)26-20-16(21)12-25-27(19)20;20-15-11-24-26-18(23-10-12-5-7-13(8-6-12)29(21,27)28)9-17(25-19(15)26)14-3-1-2-4-16(14)22;/h2-10,12,23-24H,11H2,1H3;1-9,11,23H,10H2;1H4
InChIKeyHOYCSQDPNUYTSD-UHFFFAOYSA-N
XLogP9.29
TPSA164.75 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001002.16
LogP ≤ 59.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane with MolForge

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Related Compounds

4-[2-[(2-Phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]benzenesulfonamide
CID 49790231
4-[2-[[2-(4-Fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzenesulfonamide
CID 43817558
4-[2-[[2-(3-Fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzenesulfonamide
CID 43817559
5-[1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066075
4-[[[3-Bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide
CID 21066313
4-[[[3-Bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonic acid
CID 21066314
4-[[[3-Bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride
CID 21066315
4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide
CID 21066330
4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 21066332
3-bromo-5-[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066457
3-bromo-5-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066458
3-bromo-5-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066463

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane?
The IUPAC name of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane (CID 158544514) is 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane.
What is the SMILES notation for 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane?
The canonical SMILES for 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane is C.CNS(=O)(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=S(=O)(Cl)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.
What is the InChIKey of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane?
The InChIKey is HOYCSQDPNUYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN5O2S.C19H13BrClFN4O2S.CH4/c1-23-30(28,29)14-8-6-13(7-9-14)11-24-19-10-18(15-4-2-3-5-17(15)22)26-20-16(21)12-25-27(19)20;20-15-11-24-26-18(23-10-12-5-7-13(8-6-12)29(21,27)28)9-17(25-19(15)26)14-3-1-2-4-16(14)22;/h2-10,12,23-24H,11H2,1H3;1-9,11,23H,10H2;1H4.
What are the key properties of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane?
4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane has a molecular weight of 1002.16 g/mol, XLogP of 9.29, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonyl chloride;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-methylbenzenesulfonamide;methane is sourced from PubChem (CID 158544514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).