5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C29H32FN9O3 — CID 121249698

IUPAC5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)no1
InChIInChI=1S/C29H32FN9O3/c1-29(2,3)28-36-26(37-42-28)27(40)32-15-19-5-4-18(14-22(19)30)21-6-7-31-25-23(21)34-24(35-25)20-16-33-39(17-20)9-8-38-10-12-41-13-11-38/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,32,40)(H,31,34,35)
InChIKeyMPAOHTFKCYDITQ-UHFFFAOYSA-N
MW573.63 g/mol
LogP3.57
Rot. Bonds8

About 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249698) has the molecular formula C29H32FN9O3 and a molecular weight of 573.63 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249698
Molecular FormulaC29H32FN9O3
Molecular Weight573.63 g/mol
Exact Mass573.26
IUPAC Name5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)no1
InChIInChI=1S/C29H32FN9O3/c1-29(2,3)28-36-26(37-42-28)27(40)32-15-19-5-4-18(14-22(19)30)21-6-7-31-25-23(21)34-24(35-25)20-16-33-39(17-20)9-8-38-10-12-41-13-11-38/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,32,40)(H,31,34,35)
InChIKeyMPAOHTFKCYDITQ-UHFFFAOYSA-N
XLogP3.57
TPSA139.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249698) is 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOCC6)c5)[nH]c34)cc2F)no1.
What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MPAOHTFKCYDITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN9O3/c1-29(2,3)28-36-26(37-42-28)27(40)32-15-19-5-4-18(14-22(19)30)21-6-7-31-25-23(21)34-24(35-25)20-16-33-39(17-20)9-8-38-10-12-41-13-11-38/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,32,40)(H,31,34,35).
What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 573.63 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).