5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C23H22F2N6O — CID 168773533

IUPAC5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1cnn2ccc(-c3c[nH]c4nc(CC5CCC5)ncc34)cc12
InChIInChI=1S/C23H22F2N6O/c24-23(25)8-15(9-23)29-22(32)18-12-28-31-5-4-14(7-19(18)31)16-10-27-21-17(16)11-26-20(30-21)6-13-2-1-3-13/h4-5,7,10-13,15H,1-3,6,8-9H2,(H,29,32)(H,26,27,30)
InChIKeySSGDEJUREAOTDB-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.14
Rot. Bonds5

About 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168773533) has the molecular formula C23H22F2N6O and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID168773533
Molecular FormulaC23H22F2N6O
Molecular Weight436.47 g/mol
Exact Mass436.18
IUPAC Name5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CC(F)(F)C1)c1cnn2ccc(-c3c[nH]c4nc(CC5CCC5)ncc34)cc12
InChIInChI=1S/C23H22F2N6O/c24-23(25)8-15(9-23)29-22(32)18-12-28-31-5-4-14(7-19(18)31)16-10-27-21-17(16)11-26-20(30-21)6-13-2-1-3-13/h4-5,7,10-13,15H,1-3,6,8-9H2,(H,29,32)(H,26,27,30)
InChIKeySSGDEJUREAOTDB-UHFFFAOYSA-N
XLogP4.14
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 168773533) is 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CC(F)(F)C1)c1cnn2ccc(-c3c[nH]c4nc(CC5CCC5)ncc34)cc12.
What is the InChIKey of 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SSGDEJUREAOTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O/c24-23(25)8-15(9-23)29-22(32)18-12-28-31-5-4-14(7-19(18)31)16-10-27-21-17(16)11-26-20(30-21)6-13-2-1-3-13/h4-5,7,10-13,15H,1-3,6,8-9H2,(H,29,32)(H,26,27,30).
What are the key properties of 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-N-(3,3-difluorocyclobutyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 168773533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).