N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H16FN5OS — CID 52871211

IUPACN-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(F)cn3)cc(-c3cccs3)nc21
InChIInChI=1S/C19H16FN5OS/c1-11(2)25-18-14(10-22-25)13(8-15(23-18)16-4-3-7-27-16)19(26)24-17-6-5-12(20)9-21-17/h3-11H,1-2H3,(H,21,24,26)
InChIKeyUOERKIBRVOSVCJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.53
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 52871211) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID52871211
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC NameN-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3ccc(F)cn3)cc(-c3cccs3)nc21
InChIInChI=1S/C19H16FN5OS/c1-11(2)25-18-14(10-22-25)13(8-15(23-18)16-4-3-7-27-16)19(26)24-17-6-5-12(20)9-21-17/h3-11H,1-2H3,(H,21,24,26)
InChIKeyUOERKIBRVOSVCJ-UHFFFAOYSA-N
XLogP4.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 52871211) is N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3ccc(F)cn3)cc(-c3cccs3)nc21.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UOERKIBRVOSVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-11(2)25-18-14(10-22-25)13(8-15(23-18)16-4-3-7-27-16)19(26)24-17-6-5-12(20)9-21-17/h3-11H,1-2H3,(H,21,24,26).
What are the key properties of N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 52871211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).