5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide

C23H17ClF2N6O — CID 139496344

IUPAC5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1
InChIInChI=1S/C23H17ClF2N6O/c24-14-1-4-18(27-11-14)22(33)29-19-12-28-32-8-6-20(30-21(19)32)31-7-5-13-10-23(13,31)16-9-15(25)2-3-17(16)26/h1-4,6,8-9,11-13H,5,7,10H2,(H,29,33)/t13-,23+/m0/s1
InChIKeyFSBXZXCEBUEACQ-ZAMGYDSWSA-N
MW466.88 g/mol
LogP4.43
Rot. Bonds4

About 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide

5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (PubChem CID 139496344) has the molecular formula C23H17ClF2N6O and a molecular weight of 466.88 g/mol. Its IUPAC name is 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
PubChem CID139496344
Molecular FormulaC23H17ClF2N6O
Molecular Weight466.88 g/mol
Exact Mass466.11
IUPAC Name5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1
InChIInChI=1S/C23H17ClF2N6O/c24-14-1-4-18(27-11-14)22(33)29-19-12-28-32-8-6-20(30-21(19)32)31-7-5-13-10-23(13,31)16-9-15(25)2-3-17(16)26/h1-4,6,8-9,11-13H,5,7,10H2,(H,29,33)/t13-,23+/m0/s1
InChIKeyFSBXZXCEBUEACQ-ZAMGYDSWSA-N
XLogP4.43
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide (CID 139496344) is 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is O=C(Nc1cnn2ccc(N3CC[C@H]4C[C@]43c3cc(F)ccc3F)nc12)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
The InChIKey is FSBXZXCEBUEACQ-ZAMGYDSWSA-N. The full InChI is InChI=1S/C23H17ClF2N6O/c24-14-1-4-18(27-11-14)22(33)29-19-12-28-32-8-6-20(30-21(19)32)31-7-5-13-10-23(13,31)16-9-15(25)2-3-17(16)26/h1-4,6,8-9,11-13H,5,7,10H2,(H,29,33)/t13-,23+/m0/s1.
What are the key properties of 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide?
5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide has a molecular weight of 466.88 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139496344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).