[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H20N9O2P — CID 170389829

IUPAC[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nn(C)cc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cccc(P)n3n2)o1
InChIInChI=1S/C21H20N9O2P/c1-11-13(9-28(2)26-11)19-24-25-20(32-19)21(31)29-7-6-14-17(23-10-22-14)18(29)15-8-12-4-3-5-16(33)30(12)27-15/h3-5,8-10,18H,6-7,33H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyKEKBROHMUAQYAI-GOSISDBHSA-N
MW461.43 g/mol
LogP1.44
Rot. Bonds3

About [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170389829) has the molecular formula C21H20N9O2P and a molecular weight of 461.43 g/mol. Its IUPAC name is [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170389829
Molecular FormulaC21H20N9O2P
Molecular Weight461.43 g/mol
Exact Mass461.15
IUPAC Name[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1nn(C)cc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cccc(P)n3n2)o1
InChIInChI=1S/C21H20N9O2P/c1-11-13(9-28(2)26-11)19-24-25-20(32-19)21(31)29-7-6-14-17(23-10-22-14)18(29)15-8-12-4-3-5-16(33)30(12)27-15/h3-5,8-10,18H,6-7,33H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyKEKBROHMUAQYAI-GOSISDBHSA-N
XLogP1.44
TPSA123.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170332705
[(4S)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170389351
[(4R)-4-[4-(diiodomethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 170389358
[5-[1-(difluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165976
[(4S)-4-(7-ethylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 170388656
[(4S)-4-[7-(difluoromethyl)pyrazolo[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 170334249
[5-[1-(1-fluoroethyl)pyrazol-3-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170386358
[(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
[(4R)-4-(7-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-oxadiazol-2-yl)methanone
CID 169165161
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4R)-4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166125
[(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170389332

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170389829) is [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[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-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1nn(C)cc1-c1nnc(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cccc(P)n3n2)o1.
What is the InChIKey of [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is KEKBROHMUAQYAI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N9O2P/c1-11-13(9-28(2)26-11)19-24-25-20(32-19)21(31)29-7-6-14-17(23-10-22-14)18(29)15-8-12-4-3-5-16(33)30(12)27-15/h3-5,8-10,18H,6-7,33H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 461.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-phosphanylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170389829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).