N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C26H20FN5O2 — CID 11546957

IUPACN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc2ccccn2n1
InChIInChI=1S/C26H20FN5O2/c27-21-10-8-18(9-11-21)24(30-25(33)23-15-22-7-1-2-14-32(22)31-23)26(34,19-5-3-12-28-16-19)20-6-4-13-29-17-20/h1-17,24,34H,(H,30,33)/t24-/m1/s1
InChIKeySUMVOSNWSVKCLD-XMMPIXPASA-N
MW453.48 g/mol
LogP3.67
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 11546957) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID11546957
Molecular FormulaC26H20FN5O2
Molecular Weight453.48 g/mol
Exact Mass453.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc2ccccn2n1
InChIInChI=1S/C26H20FN5O2/c27-21-10-8-18(9-11-21)24(30-25(33)23-15-22-7-1-2-14-32(22)31-23)26(34,19-5-3-12-28-16-19)20-6-4-13-29-17-20/h1-17,24,34H,(H,30,33)/t24-/m1/s1
InChIKeySUMVOSNWSVKCLD-XMMPIXPASA-N
XLogP3.67
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
CID 66962287
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044
N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
CID 67959177
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
CID 66962407
N-[2-amino-5-(4-fluorophenyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 59737230
N-(2-hydroxy-1,2,2-triphenylethyl)pyridine-2-carboxamide
CID 171976798
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one
CID 66961791
tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid
CID 66962702

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 11546957) is N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc2ccccn2n1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is SUMVOSNWSVKCLD-XMMPIXPASA-N. The full InChI is InChI=1S/C26H20FN5O2/c27-21-10-8-18(9-11-21)24(30-25(33)23-15-22-7-1-2-14-32(22)31-23)26(34,19-5-3-12-28-16-19)20-6-4-13-29-17-20/h1-17,24,34H,(H,30,33)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 11546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).