2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol

C24H19F2N5O — CID 150826092

IUPAC2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol
SMILESOc1ccc2cc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2c1
InChIInChI=1S/C24H19F2N5O/c25-15-4-6-19(26)17(11-15)22-2-1-8-30(22)23-7-9-31-24(29-23)18(13-27-31)21-10-14-3-5-16(32)12-20(14)28-21/h3-7,9-13,22,28,32H,1-2,8H2/t22-/m1/s1
InChIKeyKKYHOERGQJWQOS-JOCHJYFZSA-N
MW431.45 g/mol
LogP5.20
Rot. Bonds3

About 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol

2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol (PubChem CID 150826092) has the molecular formula C24H19F2N5O and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol.

Molecular Properties

Compound Name2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol
PubChem CID150826092
Molecular FormulaC24H19F2N5O
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol
SMILESOc1ccc2cc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2c1
InChIInChI=1S/C24H19F2N5O/c25-15-4-6-19(26)17(11-15)22-2-1-8-30(22)23-7-9-31-24(29-23)18(13-27-31)21-10-14-3-5-16(32)12-20(14)28-21/h3-7,9-13,22,28,32H,1-2,8H2/t22-/m1/s1
InChIKeyKKYHOERGQJWQOS-JOCHJYFZSA-N
XLogP5.20
TPSA69.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol?
The IUPAC name of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol (CID 150826092) is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol.
What is the SMILES notation for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol?
The canonical SMILES for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol is Oc1ccc2cc(-c3cnn4ccc(N5CCC[C@@H]5c5cc(F)ccc5F)nc34)[nH]c2c1.
What is the InChIKey of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol?
The InChIKey is KKYHOERGQJWQOS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19F2N5O/c25-15-4-6-19(26)17(11-15)22-2-1-8-30(22)23-7-9-31-24(29-23)18(13-27-31)21-10-14-3-5-16(32)12-20(14)28-21/h3-7,9-13,22,28,32H,1-2,8H2/t22-/m1/s1.
What are the key properties of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol?
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol has a molecular weight of 431.45 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-6-ol is sourced from PubChem (CID 150826092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).