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

C24H22F2N6OS — CID 155771738

IUPACN-[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
SMILESCC(C)c1cnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C24H22F2N6OS/c1-13(2)19-12-27-23(34-19)22(33)29-18-11-28-32-8-6-20(30-21(18)32)31-7-5-14-10-24(14,31)16-9-15(25)3-4-17(16)26/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,29,33)/t14-,24+/m0/s1
InChIKeyDJTRXQOYFKDERU-LFPIHBKWSA-N
MW480.54 g/mol
LogP4.97
Rot. Bonds5

About 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

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 (PubChem CID 155771738) has the molecular formula C24H22F2N6OS and a molecular weight of 480.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155771738
Molecular FormulaC24H22F2N6OS
Molecular Weight480.54 g/mol
Exact Mass480.15
IUPAC NameN-[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
SMILESCC(C)c1cnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C24H22F2N6OS/c1-13(2)19-12-27-23(34-19)22(33)29-18-11-28-32-8-6-20(30-21(18)32)31-7-5-14-10-24(14,31)16-9-15(25)3-4-17(16)26/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,29,33)/t14-,24+/m0/s1
InChIKeyDJTRXQOYFKDERU-LFPIHBKWSA-N
XLogP4.97
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 155771738) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cnc(C(=O)Nc2cnn3ccc(N4CC[C@H]5C[C@]54c4cc(F)ccc4F)nc23)s1.
What is the InChIKey of 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?
The InChIKey is DJTRXQOYFKDERU-LFPIHBKWSA-N. The full InChI is InChI=1S/C24H22F2N6OS/c1-13(2)19-12-27-23(34-19)22(33)29-18-11-28-32-8-6-20(30-21(18)32)31-7-5-14-10-24(14,31)16-9-15(25)3-4-17(16)26/h3-4,6,8-9,11-14H,5,7,10H2,1-2H3,(H,29,33)/t14-,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 480.54 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155771738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).