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

C24H23F2N7OS — CID 155771744

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-thiadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C24H23F2N7OS/c1-23(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/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,28,34)/t13-,24+/m0/s1
InChIKeyIRYWOMFYPBFIHB-RKNYENMMSA-N
MW495.56 g/mol
LogP4.53
Rot. Bonds4

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-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-thiadiazole-2-carboxamide (PubChem CID 155771744) has the molecular formula C24H23F2N7OS and a molecular weight of 495.56 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-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-thiadiazole-2-carboxamide
PubChem CID155771744
Molecular FormulaC24H23F2N7OS
Molecular Weight495.56 g/mol
Exact Mass495.17
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-thiadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C24H23F2N7OS/c1-23(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/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,28,34)/t13-,24+/m0/s1
InChIKeyIRYWOMFYPBFIHB-RKNYENMMSA-N
XLogP4.53
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-thiadiazole-2-carboxamide with MolForge

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Related Compounds

N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
CID 139495935
(3R)-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 155771747
N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]piperazine-1-carboxamide
CID 139495926
2-cyclopropyl-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-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-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-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide
CID 157373944
5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-nitropyrazolo[1,5-a]pyrimidine
CID 155674461
2-[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-oxadiazole
CID 139496084
N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide
CID 170292744
N-[5-[(2R)-2-(2,5-difluorophenyl)-2-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 139495925
ethyl 5-[1-[5-fluoro-2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155676019
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-3-methylazetidine-1-carboxamide
CID 67307029
1-tert-butyl-3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 46188752
(7R,15S)-10-fluoro-15-methyl-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaen-18-one
CID 139553862

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-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-thiadiazole-2-carboxamide (CID 155771744) 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-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-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-thiadiazole-2-carboxamide is CC(C)(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-thiadiazole-2-carboxamide?
The InChIKey is IRYWOMFYPBFIHB-RKNYENMMSA-N. The full InChI is InChI=1S/C24H23F2N7OS/c1-23(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/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,28,34)/t13-,24+/m0/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-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-thiadiazole-2-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-thiadiazole-2-carboxamide is sourced from PubChem (CID 155771744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).