2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine

C22H16F2N6S — CID 146660102

IUPAC2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cnccc5s4)c3n2)c1
InChIInChI=1S/C22H16F2N6S/c23-13-3-4-16(24)14(10-13)18-2-1-8-29(18)20-6-9-30-21(28-20)15(11-26-30)22-27-17-12-25-7-5-19(17)31-22/h3-7,9-12,18H,1-2,8H2/t18-/m1/s1
InChIKeyNYLGKOKQOBJIFG-GOSISDBHSA-N
MW434.48 g/mol
LogP5.02
Rot. Bonds3

About 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine

2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 146660102) has the molecular formula C22H16F2N6S and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID146660102
Molecular FormulaC22H16F2N6S
Molecular Weight434.48 g/mol
Exact Mass434.11
IUPAC Name2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cnccc5s4)c3n2)c1
InChIInChI=1S/C22H16F2N6S/c23-13-3-4-16(24)14(10-13)18-2-1-8-29(18)20-6-9-30-21(28-20)15(11-26-30)22-27-17-12-25-7-5-19(17)31-22/h3-7,9-12,18H,1-2,8H2/t18-/m1/s1
InChIKeyNYLGKOKQOBJIFG-GOSISDBHSA-N
XLogP5.02
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine with MolForge

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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]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 146660102) is 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine is Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc5cnccc5s4)c3n2)c1.
What is the InChIKey of 2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is NYLGKOKQOBJIFG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H16F2N6S/c23-13-3-4-16(24)14(10-13)18-2-1-8-29(18)20-6-9-30-21(28-20)15(11-26-30)22-27-17-12-25-7-5-19(17)31-22/h3-7,9-12,18H,1-2,8H2/t18-/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]-[1,3]thiazolo[4,5-c]pyridine?
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 434.48 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 146660102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).