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

C19H20BrF3N6O — CID 19505867

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCCn1ncc(Br)c1CNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21
InChIInChI=1S/C19H20BrF3N6O/c1-3-28-15(13(20)7-25-28)8-24-16(30)9-29-18-17(10(2)27-29)12(19(21,22)23)6-14(26-18)11-4-5-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,24,30)
InChIKeyCJYVVQGRDNZJHD-UHFFFAOYSA-N
MW485.31 g/mol
LogP3.93
Rot. Bonds6

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

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19505867) has the molecular formula C19H20BrF3N6O and a molecular weight of 485.31 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19505867
Molecular FormulaC19H20BrF3N6O
Molecular Weight485.31 g/mol
Exact Mass484.08
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCCn1ncc(Br)c1CNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21
InChIInChI=1S/C19H20BrF3N6O/c1-3-28-15(13(20)7-25-28)8-24-16(30)9-29-18-17(10(2)27-29)12(19(21,22)23)6-14(26-18)11-4-5-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,24,30)
InChIKeyCJYVVQGRDNZJHD-UHFFFAOYSA-N
XLogP3.93
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19505867) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is CCn1ncc(Br)c1CNC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(C3CC3)nc21.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is CJYVVQGRDNZJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N6O/c1-3-28-15(13(20)7-25-28)8-24-16(30)9-29-18-17(10(2)27-29)12(19(21,22)23)6-14(26-18)11-4-5-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,24,30).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 485.31 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19505867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).