4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C20H13ClF3N5O — CID 122457313

IUPAC4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2Cc2ccccn2)c1Cl
InChIInChI=1S/C20H13ClF3N5O/c21-17-15-10-27-29(11-14-3-1-2-8-25-14)18(15)26-9-16(17)19(30)28-13-6-4-12(5-7-13)20(22,23)24/h1-10H,11H2,(H,28,30)
InChIKeyQJNLIXDIZSRCLB-UHFFFAOYSA-N
MW431.81 g/mol
LogP4.80
Rot. Bonds4

About 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457313) has the molecular formula C20H13ClF3N5O and a molecular weight of 431.81 g/mol. Its IUPAC name is 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457313
Molecular FormulaC20H13ClF3N5O
Molecular Weight431.81 g/mol
Exact Mass431.08
IUPAC Name4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2Cc2ccccn2)c1Cl
InChIInChI=1S/C20H13ClF3N5O/c21-17-15-10-27-29(11-14-3-1-2-8-25-14)18(15)26-9-16(17)19(30)28-13-6-4-12(5-7-13)20(22,23)24/h1-10H,11H2,(H,28,30)
InChIKeyQJNLIXDIZSRCLB-UHFFFAOYSA-N
XLogP4.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(1,3-thiazol-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122455205
4-chloro-3-methyl-1-(pyrazin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457247
4-chloro-1-(1,1-dioxothian-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457961
4-chloro-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458496
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
4-chloro-1-(2,3-dihydro-1H-triazol-4-ylmethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458956
7-chloro-3-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 122458329
1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162930
2-chloro-3-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860941
1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458330
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457313) is 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2c(cnn2Cc2ccccn2)c1Cl.
What is the InChIKey of 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QJNLIXDIZSRCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O/c21-17-15-10-27-29(11-14-3-1-2-8-25-14)18(15)26-9-16(17)19(30)28-13-6-4-12(5-7-13)20(22,23)24/h1-10H,11H2,(H,28,30).
What are the key properties of 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 431.81 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).