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

C22H16F3N7O — CID 168774056

IUPACN-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cnn2ccc(-c3c[nH]c4nc(CCC(F)(F)F)ncc34)cc12
InChIInChI=1S/C22H16F3N7O/c23-22(24,25)5-3-19-27-11-16-15(10-28-20(16)31-19)13-4-7-32-18(8-13)17(12-29-32)21(33)30-14-2-1-6-26-9-14/h1-2,4,6-12H,3,5H2,(H,30,33)(H,27,28,31)
InChIKeyXIJVBTKJSUTPGW-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.41
Rot. Bonds5

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

N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 168774056) has the molecular formula C22H16F3N7O and a molecular weight of 451.41 g/mol. Its IUPAC name is N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID168774056
Molecular FormulaC22H16F3N7O
Molecular Weight451.41 g/mol
Exact Mass451.14
IUPAC NameN-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1cnn2ccc(-c3c[nH]c4nc(CCC(F)(F)F)ncc34)cc12
InChIInChI=1S/C22H16F3N7O/c23-22(24,25)5-3-19-27-11-16-15(10-28-20(16)31-19)13-4-7-32-18(8-13)17(12-29-32)21(33)30-14-2-1-6-26-9-14/h1-2,4,6-12H,3,5H2,(H,30,33)(H,27,28,31)
InChIKeyXIJVBTKJSUTPGW-UHFFFAOYSA-N
XLogP4.41
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175879534
N-(2-fluoro-2-methylpropyl)-5-[2-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773621
5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175879498
N-(2,2-difluoroethyl)-5-[2-[[1-(trifluoromethyl)cyclopropyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168773337
N-(4-methoxycyclohexyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168774063
N-(2,2-difluoroethyl)-5-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 168772563
piperidin-1-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 168772513
N-pyridin-3-yl-N'-[3-(3,3,3-trifluoropropyl)phenyl]oxamide
CID 86805127
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridin-3-yl]acetamide
CID 170187433
[5-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridin-3-yl]-piperidin-1-ylmethanone
CID 168773776
4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167853656

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-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 N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 168774056) is N-pyridin-3-yl-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 N-pyridin-3-yl-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 N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cccnc1)c1cnn2ccc(-c3c[nH]c4nc(CCC(F)(F)F)ncc34)cc12.
What is the InChIKey of N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XIJVBTKJSUTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N7O/c23-22(24,25)5-3-19-27-11-16-15(10-28-20(16)31-19)13-4-7-32-18(8-13)17(12-29-32)21(33)30-14-2-1-6-26-9-14/h1-2,4,6-12H,3,5H2,(H,30,33)(H,27,28,31).
What are the key properties of N-pyridin-3-yl-5-[2-(3,3,3-trifluoropropyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-pyridin-3-yl-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 451.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-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 168774056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).