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

C30H32FN9O4 — CID 121249693

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

N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 121249693) has the molecular formula C30H32FN9O4 and a molecular weight of 601.64 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 121249693
• Molecular Formula: C30H32FN9O4
• Molecular Weight: 601.64 g/mol
• Exact Mass: 601.26
• IUPAC Name: N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide
• SMILES: O=C(NCc1ccc(-c2ccnc3nc(-c4cnn(CCN5CCOCC5)c4)[nH]c23)cc1F)c1nnc(C2CCOCC2)o1
• InChI: InChI=1S/C30H32FN9O4/c31-24-15-20(1-2-21(24)16-33-28(41)30-38-37-29(44-30)19-4-11-42-12-5-19)23-3-6-32-27-25(23)35-26(36-27)22-17-34-40(18-22)8-7-39-9-13-43-14-10-39/h1-3,6,15,17-19H,4-5,7-14,16H2,(H,33,41)(H,32,35,36)
• InChIKey: GQGXAKKUNFHBHZ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 149.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.64
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide (CID 121249693) is N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide is O=C(NCc1ccc(-c2ccnc3nc(-c4cnn(CCN5CCOCC5)c4)[nH]c23)cc1F)c1nnc(C2CCOCC2)o1.

What is the InChIKey of N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is GQGXAKKUNFHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN9O4/c31-24-15-20(1-2-21(24)16-33-28(41)30-38-37-29(44-30)19-4-11-42-12-5-19)23-3-6-32-27-25(23)35-26(36-27)22-17-34-40(18-22)8-7-39-9-13-43-14-10-39/h1-3,6,15,17-19H,4-5,7-14,16H2,(H,33,41)(H,32,35,36).

What are the key properties of N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide?

N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 601.64 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-5-(oxan-4-yl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 121249693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).