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

C17H13F3N6O — CID 175879534

IUPAC5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(-c3c[nH]c4nc(CCC(F)(F)F)ncc34)cc12
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)3-1-14-22-7-11-10(6-23-16(11)25-14)9-2-4-26-13(5-9)12(8-24-26)15(21)27/h2,4-8H,1,3H2,(H2,21,27)(H,22,23,25)
InChIKeyVQPVHVMJXVMSDF-UHFFFAOYSA-N
MW374.33 g/mol
LogP2.87
Rot. Bonds4

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

5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175879534) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175879534
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(-c3c[nH]c4nc(CCC(F)(F)F)ncc34)cc12
InChIInChI=1S/C17H13F3N6O/c18-17(19,20)3-1-14-22-7-11-10(6-23-16(11)25-14)9-2-4-26-13(5-9)12(8-24-26)15(21)27/h2,4-8H,1,3H2,(H2,21,27)(H,22,23,25)
InChIKeyVQPVHVMJXVMSDF-UHFFFAOYSA-N
XLogP2.87
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175879534) is 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2ccc(-c3c[nH]c4nc(CCC(F)(F)F)ncc34)cc12.
What is the InChIKey of 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VQPVHVMJXVMSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c18-17(19,20)3-1-14-22-7-11-10(6-23-16(11)25-14)9-2-4-26-13(5-9)12(8-24-26)15(21)27/h2,4-8H,1,3H2,(H2,21,27)(H,22,23,25).
What are the key properties of 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 374.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175879534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).