2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19F3N6O — CID 134480304

IUPAC2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19F3N6O/c24-13-3-6-15(7-4-13)28-23(33)20-21(27)30-32-11-9-19(29-22(20)32)31-10-1-2-18(31)16-12-14(25)5-8-17(16)26/h3-9,11-12,18H,1-2,10H2,(H2,27,30)(H,28,33)/t18-/m1/s1
InChIKeyOMONOCBAIRYTEE-GOSISDBHSA-N
MW452.44 g/mol
LogP4.32
Rot. Bonds4

About 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134480304) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134480304
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H19F3N6O/c24-13-3-6-15(7-4-13)28-23(33)20-21(27)30-32-11-9-19(29-22(20)32)31-10-1-2-18(31)16-12-14(25)5-8-17(16)26/h3-9,11-12,18H,1-2,10H2,(H2,27,30)(H,28,33)/t18-/m1/s1
InChIKeyOMONOCBAIRYTEE-GOSISDBHSA-N
XLogP4.32
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134480304) is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc2c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OMONOCBAIRYTEE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H19F3N6O/c24-13-3-6-15(7-4-13)28-23(33)20-21(27)30-32-11-9-19(29-22(20)32)31-10-1-2-18(31)16-12-14(25)5-8-17(16)26/h3-9,11-12,18H,1-2,10H2,(H2,27,30)(H,28,33)/t18-/m1/s1.
What are the key properties of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134480304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).