[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane

C16H15FN7OP — CID 170394431

IUPAC[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane
SMILESFC(P)c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)o1
InChIInChI=1S/C16H15FN7OP/c17-14(26)15-20-21-16(25-15)23-6-4-10-12(19-8-18-10)13(23)11-7-9-3-1-2-5-24(9)22-11/h1-3,5,7-8,13-14H,4,6,26H2,(H,18,19)/t13-,14?/m1/s1
InChIKeyMXECLHQMGDWTOX-KWCCSABGSA-N
MW371.32 g/mol
LogP2.44
Rot. Bonds3

About [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane

[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane (PubChem CID 170394431) has the molecular formula C16H15FN7OP and a molecular weight of 371.32 g/mol. Its IUPAC name is [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane.

Molecular Properties

Compound Name[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane
PubChem CID170394431
Molecular FormulaC16H15FN7OP
Molecular Weight371.32 g/mol
Exact Mass371.11
IUPAC Name[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane
SMILESFC(P)c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)o1
InChIInChI=1S/C16H15FN7OP/c17-14(26)15-20-21-16(25-15)23-6-4-10-12(19-8-18-10)13(23)11-7-9-3-1-2-5-24(9)22-11/h1-3,5,7-8,13-14H,4,6,26H2,(H,18,19)/t13-,14?/m1/s1
InChIKeyMXECLHQMGDWTOX-KWCCSABGSA-N
XLogP2.44
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-5-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169165311
2-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazole
CID 176928537
2-(difluoromethyl)-5-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170333091
2-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-methyl-1,3,4-oxadiazole
CID 169165373
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 170333365
2-tert-butyl-5-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166186
2-(1,1-difluoroethyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 169166049
2-cyclopropyl-5-[4-(4-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170332371
2-cyclopropyl-5-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
CID 170333480
2-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 169165222
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332789
5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
CID 176928573

Frequently Asked Questions

What is the IUPAC name of [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane?
The IUPAC name of [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane (CID 170394431) is [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane.
What is the SMILES notation for [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane?
The canonical SMILES for [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane is FC(P)c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)o1.
What is the InChIKey of [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane?
The InChIKey is MXECLHQMGDWTOX-KWCCSABGSA-N. The full InChI is InChI=1S/C16H15FN7OP/c17-14(26)15-20-21-16(25-15)23-6-4-10-12(19-8-18-10)13(23)11-7-9-3-1-2-5-24(9)22-11/h1-3,5,7-8,13-14H,4,6,26H2,(H,18,19)/t13-,14?/m1/s1.
What are the key properties of [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane?
[fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane has a molecular weight of 371.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-[5-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazol-2-yl]methyl]phosphane is sourced from PubChem (CID 170394431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).