[5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H17N8O2P — CID 170393527

IUPAC[5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1nnc(-c2ccc(P)cn2)o1)N1CCc2[nH]cnc2[C@@H]1c1cc2ccccn2n1
InChIInChI=1S/C21H17N8O2P/c30-21(20-26-25-19(31-20)15-5-4-13(32)10-22-15)28-8-6-14-17(24-11-23-14)18(28)16-9-12-3-1-2-7-29(12)27-16/h1-5,7,9-11,18H,6,8,32H2,(H,23,24)/t18-/m0/s1
InChIKeyBSIUAEXHACCNLI-SFHVURJKSA-N
MW444.40 g/mol
LogP1.79
Rot. Bonds3

About [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170393527) has the molecular formula C21H17N8O2P and a molecular weight of 444.40 g/mol. Its IUPAC name is [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170393527
Molecular FormulaC21H17N8O2P
Molecular Weight444.40 g/mol
Exact Mass444.12
IUPAC Name[5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1nnc(-c2ccc(P)cn2)o1)N1CCc2[nH]cnc2[C@@H]1c1cc2ccccn2n1
InChIInChI=1S/C21H17N8O2P/c30-21(20-26-25-19(31-20)15-5-4-13(32)10-22-15)28-8-6-14-17(24-11-23-14)18(28)16-9-12-3-1-2-7-29(12)27-16/h1-5,7,9-11,18H,6,8,32H2,(H,23,24)/t18-/m0/s1
InChIKeyBSIUAEXHACCNLI-SFHVURJKSA-N
XLogP1.79
TPSA118.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169166008
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 170332771
[5-(1-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165929
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863069
[(4R)-4-(4-cyclopropylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169165594
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332448
[(4S)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169166144
[4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170332960
[(4R)-4-(4-bromopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169165266
(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213746
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(5-methoxy-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169165482
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170333741

Frequently Asked Questions

What is the IUPAC name of [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170393527) is [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1nnc(-c2ccc(P)cn2)o1)N1CCc2[nH]cnc2[C@@H]1c1cc2ccccn2n1.
What is the InChIKey of [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BSIUAEXHACCNLI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17N8O2P/c30-21(20-26-25-19(31-20)15-5-4-13(32)10-22-15)28-8-6-14-17(24-11-23-14)18(28)16-9-12-3-1-2-7-29(12)27-16/h1-5,7,9-11,18H,6,8,32H2,(H,23,24)/t18-/m0/s1.
What are the key properties of [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 444.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-phosphanyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170393527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).