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

C20H15ClF6N4O — CID 19505663

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H15ClF6N4O/c1-9-17-12(20(25,26)27)7-14(10-2-3-10)29-18(17)31(30-9)8-16(32)28-15-6-11(19(22,23)24)4-5-13(15)21/h4-7,10H,2-3,8H2,1H3,(H,28,32)
InChIKeyIWBZMFDQRMXALL-UHFFFAOYSA-N
MW476.81 g/mol
LogP5.95
Rot. Bonds4

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19505663) has the molecular formula C20H15ClF6N4O and a molecular weight of 476.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
PubChem CID19505663
Molecular FormulaC20H15ClF6N4O
Molecular Weight476.81 g/mol
Exact Mass476.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H15ClF6N4O/c1-9-17-12(20(25,26)27)7-14(10-2-3-10)29-18(17)31(30-9)8-16(32)28-15-6-11(19(22,23)24)4-5-13(15)21/h4-7,10H,2-3,8H2,1H3,(H,28,32)
InChIKeyIWBZMFDQRMXALL-UHFFFAOYSA-N
XLogP5.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.81
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 19505739
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19505802
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505664
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 19505821
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 19505761
N-(1-benzylpyrazol-4-yl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505743
N-(1-adamantyl)-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505673
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19505798
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19505723
N,N-dicyclohexyl-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19505658
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 19505754
N-(2-chloro-4-nitrophenyl)-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503778

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19505663) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2nc(C3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
The InChIKey is IWBZMFDQRMXALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF6N4O/c1-9-17-12(20(25,26)27)7-14(10-2-3-10)29-18(17)31(30-9)8-16(32)28-15-6-11(19(22,23)24)4-5-13(15)21/h4-7,10H,2-3,8H2,1H3,(H,28,32).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 476.81 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19505663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).