tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C43H48F3N15O4S — CID 174231482

About tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine

tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 174231482) has the molecular formula C43H48F3N15O4S and a molecular weight of 928.02 g/mol. Its IUPAC name is tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
• PubChem CID: 174231482
• Molecular Formula: C43H48F3N15O4S
• Molecular Weight: 928.02 g/mol
• Exact Mass: 927.37
• IUPAC Name: tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnc(CC5CC5)o4)c3)cn2)CC1.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2nc(C(F)(F)F)cs2)o1
• InChI: InChI=1S/C24H31N7O3.C19H17F3N8OS/c1-24(2,3)34-23(32)30-8-6-18(7-9-30)31-14-17(13-27-31)16-11-19(21(25)26-12-16)22-29-28-20(33-22)10-15-4-5-15;20-19(21,22)14-9-32-18(27-14)17-29-28-16(31-17)13-5-10(6-25-15(13)23)11-7-26-30(8-11)12-1-3-24-4-2-12/h11-15,18H,4-10H2,1-3H3,(H2,25,26);5-9,12,24H,1-4H2,(H2,23,25)
• InChIKey: HXYCLHKGZQPOAP-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 245.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.02
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?

The IUPAC name of tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 174231482) is tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

What is the SMILES notation for tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?

The canonical SMILES for tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnc(CC5CC5)o4)c3)cn2)CC1.Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2nc(C(F)(F)F)cs2)o1.

What is the InChIKey of tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?

The InChIKey is HXYCLHKGZQPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3.C19H17F3N8OS/c1-24(2,3)34-23(32)30-8-6-18(7-9-30)31-14-17(13-27-31)16-11-19(21(25)26-12-16)22-29-28-20(33-22)10-15-4-5-15;20-19(21,22)14-9-32-18(27-14)17-29-28-16(31-17)13-5-10(6-25-15(13)23)11-7-26-30(8-11)12-1-3-24-4-2-12/h11-15,18H,4-10H2,1-3H3,(H2,25,26);5-9,12,24H,1-4H2,(H2,23,25).

What are the key properties of tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine?

tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 928.02 g/mol, XLogP of 7.75, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[6-amino-5-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;5-(1-piperidin-4-ylpyrazol-4-yl)-3-[5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 174231482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).