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

C24H20F2N6OS — CID 155771745

IUPAC2-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
SMILESO=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1cnc(C2CC2)s1
InChIInChI=1S/C24H20F2N6OS/c25-15-3-4-17(26)16(9-15)24-10-14(24)5-7-31(24)20-6-8-32-21(30-20)18(11-28-32)29-22(33)19-12-27-23(34-19)13-1-2-13/h3-4,6,8-9,11-14H,1-2,5,7,10H2,(H,29,33)/t14-,24+/m0/s1
InChIKeyBGJIPVKSXZRXMJ-LFPIHBKWSA-N
MW478.53 g/mol
LogP4.72
Rot. Bonds5

About 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

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 (PubChem CID 155771745) has the molecular formula C24H20F2N6OS and a molecular weight of 478.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID155771745
Molecular FormulaC24H20F2N6OS
Molecular Weight478.53 g/mol
Exact Mass478.14
IUPAC Name2-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
SMILESO=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1cnc(C2CC2)s1
InChIInChI=1S/C24H20F2N6OS/c25-15-3-4-17(26)16(9-15)24-10-14(24)5-7-31(24)20-6-8-32-21(30-20)18(11-28-32)29-22(33)19-12-27-23(34-19)13-1-2-13/h3-4,6,8-9,11-14H,1-2,5,7,10H2,(H,29,33)/t14-,24+/m0/s1
InChIKeyBGJIPVKSXZRXMJ-LFPIHBKWSA-N
XLogP4.72
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 155771745) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1cnc(C2CC2)s1.
What is the InChIKey of 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?
The InChIKey is BGJIPVKSXZRXMJ-LFPIHBKWSA-N. The full InChI is InChI=1S/C24H20F2N6OS/c25-15-3-4-17(26)16(9-15)24-10-14(24)5-7-31(24)20-6-8-32-21(30-20)18(11-28-32)29-22(33)19-12-27-23(34-19)13-1-2-13/h3-4,6,8-9,11-14H,1-2,5,7,10H2,(H,29,33)/t14-,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 478.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155771745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).