5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

C98H89F8N27O5S2 — CID 161157660

IUPAC5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESC=C1c2ccccc2CN1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.CC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)o1.CC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.CC(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C27H22F2N6O.C24H23F2N7O2.C24H23F2N7OS.C23H21F2N7OS/c1-16-20-5-3-2-4-17(20)15-33(16)26(36)31-23-14-30-35-11-9-24(32-25(23)35)34-10-8-18-13-27(18,34)21-12-19(28)6-7-22(21)29;2*1-23(2,3)22-31-30-21(35-22)20(34)28-17-12-27-33-9-7-18(29-19(17)33)32-8-6-13-11-24(13,32)15-10-14(25)4-5-16(15)26;1-12(2)21-29-30-22(34-21)20(33)27-17-11-26-32-8-6-18(28-19(17)32)31-7-5-13-10-23(13,31)15-9-14(24)3-4-16(15)25/h2-7,9,11-12,14,18H,1,8,10,13,15H2,(H,31,36);2*4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,28,34);3-4,6,8-9,11-13H,5,7,10H2,1-2H3,(H,27,33)/t18-,27+;2*13-,24+;13-,23+/m0000/s1
InChIKeyUPMUXZVEMSRMAH-RVKGCRKWSA-N
MW1941.09 g/mol
LogP18.11
Rot. Bonds16

About 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 161157660) has the molecular formula C98H89F8N27O5S2 and a molecular weight of 1941.09 g/mol. Its IUPAC name is 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID161157660
Molecular FormulaC98H89F8N27O5S2
Molecular Weight1941.09 g/mol
Exact Mass1939.69
IUPAC Name5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESC=C1c2ccccc2CN1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.CC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)o1.CC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.CC(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C27H22F2N6O.C24H23F2N7O2.C24H23F2N7OS.C23H21F2N7OS/c1-16-20-5-3-2-4-17(20)15-33(16)26(36)31-23-14-30-35-11-9-24(32-25(23)35)34-10-8-18-13-27(18,34)21-12-19(28)6-7-22(21)29;2*1-23(2,3)22-31-30-21(35-22)20(34)28-17-12-27-33-9-7-18(29-19(17)33)32-8-6-13-11-24(13,32)15-10-14(25)4-5-16(15)26;1-12(2)21-29-30-22(34-21)20(33)27-17-11-26-32-8-6-18(28-19(17)32)31-7-5-13-10-23(13,31)15-9-14(24)3-4-16(15)25/h2-7,9,11-12,14,18H,1,8,10,13,15H2,(H,31,36);2*4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,28,34);3-4,6,8-9,11-13H,5,7,10H2,1-2H3,(H,27,33)/t18-,27+;2*13-,24+;13-,23+/m0000/s1
InChIKeyUPMUXZVEMSRMAH-RVKGCRKWSA-N
XLogP18.11
TPSA343.84 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001941.09
LogP ≤ 518.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (CID 161157660) is 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is C=C1c2ccccc2CN1C(=O)Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12.CC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)o1.CC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.CC(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.
What is the InChIKey of 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UPMUXZVEMSRMAH-RVKGCRKWSA-N. The full InChI is InChI=1S/C27H22F2N6O.C24H23F2N7O2.C24H23F2N7OS.C23H21F2N7OS/c1-16-20-5-3-2-4-17(20)15-33(16)26(36)31-23-14-30-35-11-9-24(32-25(23)35)34-10-8-18-13-27(18,34)21-12-19(28)6-7-22(21)29;2*1-23(2,3)22-31-30-21(35-22)20(34)28-17-12-27-33-9-7-18(29-19(17)33)32-8-6-13-11-24(13,32)15-10-14(25)4-5-16(15)26;1-12(2)21-29-30-22(34-21)20(33)27-17-11-26-32-8-6-18(28-19(17)32)31-7-5-13-10-23(13,31)15-9-14(24)3-4-16(15)25/h2-7,9,11-12,14,18H,1,8,10,13,15H2,(H,31,36);2*4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,28,34);3-4,6,8-9,11-13H,5,7,10H2,1-2H3,(H,27,33)/t18-,27+;2*13-,24+;13-,23+/m0000/s1.
What are the key properties of 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 1941.09 g/mol, XLogP of 18.11, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;5-tert-butyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylidene-1H-isoindole-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 161157660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).