N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide

C18H15BrF3N5O — CID 19505674

IUPACN-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Br)cn2)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H15BrF3N5O/c1-9-16-12(18(20,21)22)6-13(10-2-3-10)24-17(16)27(26-9)8-15(28)25-14-5-4-11(19)7-23-14/h4-7,10H,2-3,8H2,1H3,(H,23,25,28)
InChIKeyFQGMCUUZSZUFDO-UHFFFAOYSA-N
MW454.25 g/mol
LogP4.43
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide

N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19505674) has the molecular formula C18H15BrF3N5O and a molecular weight of 454.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19505674
Molecular FormulaC18H15BrF3N5O
Molecular Weight454.25 g/mol
Exact Mass453.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(Br)cn2)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C18H15BrF3N5O/c1-9-16-12(18(20,21)22)6-13(10-2-3-10)24-17(16)27(26-9)8-15(28)25-14-5-4-11(19)7-23-14/h4-7,10H,2-3,8H2,1H3,(H,23,25,28)
InChIKeyFQGMCUUZSZUFDO-UHFFFAOYSA-N
XLogP4.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19505674) is N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(Br)cn2)c2nc(C3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is FQGMCUUZSZUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N5O/c1-9-16-12(18(20,21)22)6-13(10-2-3-10)24-17(16)27(26-9)8-15(28)25-14-5-4-11(19)7-23-14/h4-7,10H,2-3,8H2,1H3,(H,23,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 454.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19505674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).