3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

C23H19ClFN7O2 — CID 160994061

IUPAC3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCn1cc(-c2cnc3[nH]cc(-c4nnc(Cc5ccc(C(=O)NCCF)cc5Cl)o4)c3c2)cn1
InChIInChI=1S/C23H19ClFN7O2/c1-32-12-16(10-29-32)15-6-17-18(11-28-21(17)27-9-15)23-31-30-20(34-23)8-13-2-3-14(7-19(13)24)22(33)26-5-4-25/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,26,33)(H,27,28)
InChIKeyTUZXSEMKMHNIEY-UHFFFAOYSA-N
MW479.90 g/mol
LogP3.96
Rot. Bonds7

About 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 160994061) has the molecular formula C23H19ClFN7O2 and a molecular weight of 479.90 g/mol. Its IUPAC name is 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID160994061
Molecular FormulaC23H19ClFN7O2
Molecular Weight479.90 g/mol
Exact Mass479.13
IUPAC Name3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCn1cc(-c2cnc3[nH]cc(-c4nnc(Cc5ccc(C(=O)NCCF)cc5Cl)o4)c3c2)cn1
InChIInChI=1S/C23H19ClFN7O2/c1-32-12-16(10-29-32)15-6-17-18(11-28-21(17)27-9-15)23-31-30-20(34-23)8-13-2-3-14(7-19(13)24)22(33)26-5-4-25/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,26,33)(H,27,28)
InChIKeyTUZXSEMKMHNIEY-UHFFFAOYSA-N
XLogP3.96
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[3-chloro-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]phenyl]-2-methylprop-2-enamide
CID 158709193
6-chloro-4-[2-[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]propan-2-yl]pyridin-3-ol
CID 136598811
2-[methoxy(phenyl)methyl]-5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazole
CID 135981818
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
3-chloro-N-cyclopropyl-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazolidin-2-ylidene]amino]benzamide
CID 136969790
3-[5-[(2-fluorophenyl)methyl]-4H-imidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161039948
(2R)-3-methyl-2-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-(2,2,2-trifluoroethyl)amino]butanamide
CID 71548988
[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-oxadiazol-5-yl]-phenylmethanone
CID 135981907
(2-chlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 135981844
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134808074
3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]triazol-1-yl]-3-phenylpropanoic acid
CID 66778700
3-chloro-4-[cyanomethyl-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]amino]-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 118281923

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 160994061) is 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cn1cc(-c2cnc3[nH]cc(-c4nnc(Cc5ccc(C(=O)NCCF)cc5Cl)o4)c3c2)cn1.
What is the InChIKey of 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is TUZXSEMKMHNIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O2/c1-32-12-16(10-29-32)15-6-17-18(11-28-21(17)27-9-15)23-31-30-20(34-23)8-13-2-3-14(7-19(13)24)22(33)26-5-4-25/h2-3,6-7,9-12H,4-5,8H2,1H3,(H,26,33)(H,27,28).
What are the key properties of 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 479.90 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-fluoroethyl)-4-[[5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 160994061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).