1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol

C24H21F2N7O — CID 152541676

IUPAC1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol
SMILESCC(O)c1cc2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2cn1
InChIInChI=1S/C24H21F2N7O/c1-13(34)18-10-19-20(12-27-18)30-23(29-19)16-11-28-33-8-6-22(31-24(16)33)32-7-2-3-21(32)15-9-14(25)4-5-17(15)26/h4-6,8-13,21,34H,2-3,7H2,1H3,(H,29,30)/t13?,21-/m1/s1
InChIKeyYLRBIYIQXDAMPS-QUXALOBESA-N
MW461.48 g/mol
LogP4.34
Rot. Bonds4

About 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol

1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol (PubChem CID 152541676) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol.

Molecular Properties

Compound Name1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol
PubChem CID152541676
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol
SMILESCC(O)c1cc2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2cn1
InChIInChI=1S/C24H21F2N7O/c1-13(34)18-10-19-20(12-27-18)30-23(29-19)16-11-28-33-8-6-22(31-24(16)33)32-7-2-3-21(32)15-9-14(25)4-5-17(15)26/h4-6,8-13,21,34H,2-3,7H2,1H3,(H,29,30)/t13?,21-/m1/s1
InChIKeyYLRBIYIQXDAMPS-QUXALOBESA-N
XLogP4.34
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol?
The IUPAC name of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol (CID 152541676) is 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol.
What is the SMILES notation for 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol?
The canonical SMILES for 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol is CC(O)c1cc2nc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2cn1.
What is the InChIKey of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol?
The InChIKey is YLRBIYIQXDAMPS-QUXALOBESA-N. The full InChI is InChI=1S/C24H21F2N7O/c1-13(34)18-10-19-20(12-27-18)30-23(29-19)16-11-28-33-8-6-22(31-24(16)33)32-7-2-3-21(32)15-9-14(25)4-5-17(15)26/h4-6,8-13,21,34H,2-3,7H2,1H3,(H,29,30)/t13?,21-/m1/s1.
What are the key properties of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol?
1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol has a molecular weight of 461.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3H-imidazo[4,5-c]pyridin-6-yl]ethanol is sourced from PubChem (CID 152541676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).