4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide

C94H82Br4F4N20O4 — CID 158567061

About 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide

4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide (PubChem CID 158567061) has the molecular formula C94H82Br4F4N20O4 and a molecular weight of 1951.43 g/mol. Its IUPAC name is 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide
• PubChem CID: 158567061
• Molecular Formula: C94H82Br4F4N20O4
• Molecular Weight: 1951.43 g/mol
• Exact Mass: 1946.35
• IUPAC Name: 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide
• SMILES: CC(C)NC(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=C(NC1CC1)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=C(NC1CCC1)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=C(NCC1CC1)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1
• InChI: InChI=1S/2C24H21BrFN5O.C23H19BrFN5O.C23H21BrFN5O/c25-19-14-28-31-22(12-21(30-23(19)31)18-6-1-2-7-20(18)26)27-13-15-8-10-16(11-9-15)24(32)29-17-4-3-5-17;25-19-14-29-31-22(11-21(30-23(19)31)18-3-1-2-4-20(18)26)27-12-16-7-9-17(10-8-16)24(32)28-13-15-5-6-15;24-18-13-27-30-21(11-20(29-22(18)30)17-3-1-2-4-19(17)25)26-12-14-5-7-15(8-6-14)23(31)28-16-9-10-16;1-14(2)28-23(31)16-9-7-15(8-10-16)12-26-21-11-20(17-5-3-4-6-19(17)25)29-22-18(24)13-27-30(21)22/h1-2,6-12,14,17,27H,3-5,13H2,(H,29,32);1-4,7-11,14-15,27H,5-6,12-13H2,(H,28,32);1-8,11,13,16,26H,9-10,12H2,(H,28,31);3-11,13-14,26H,12H2,1-2H3,(H,28,31)
• InChIKey: HRPOCULEECSLIL-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 285.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.43
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide?

The IUPAC name of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide (CID 158567061) is 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide?

The canonical SMILES for 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=C(NC1CC1)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=C(NC1CCC1)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.O=C(NCC1CC1)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]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide?

The InChIKey is HRPOCULEECSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H21BrFN5O.C23H19BrFN5O.C23H21BrFN5O/c25-19-14-28-31-22(12-21(30-23(19)31)18-6-1-2-7-20(18)26)27-13-15-8-10-16(11-9-15)24(32)29-17-4-3-5-17;25-19-14-29-31-22(11-21(30-23(19)31)18-3-1-2-4-20(18)26)27-12-16-7-9-17(10-8-16)24(32)28-13-15-5-6-15;24-18-13-27-30-21(11-20(29-22(18)30)17-3-1-2-4-19(17)25)26-12-14-5-7-15(8-6-14)23(31)28-16-9-10-16;1-14(2)28-23(31)16-9-7-15(8-10-16)12-26-21-11-20(17-5-3-4-6-19(17)25)29-22-18(24)13-27-30(21)22/h1-2,6-12,14,17,27H,3-5,13H2,(H,29,32);1-4,7-11,14-15,27H,5-6,12-13H2,(H,28,32);1-8,11,13,16,26H,9-10,12H2,(H,28,31);3-11,13-14,26H,12H2,1-2H3,(H,28,31).

What are the key properties of 4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide?

4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide has a molecular weight of 1951.43 g/mol, XLogP of 20.09, 25 rotatable bonds, 8 hydrogen bond donors, and 20 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]-N-cyclobutylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopropylbenzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-(cyclopropylmethyl)benzamide;4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 158567061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).