(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide

C22H24F2N6O — CID 46189101

IUPAC(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCN1
InChIInChI=1S/C22H24F2N6O/c1-22(8-3-9-25-22)21(31)27-17-13-26-30-11-7-19(28-20(17)30)29-10-2-4-18(29)15-12-14(23)5-6-16(15)24/h5-7,11-13,18,25H,2-4,8-10H2,1H3,(H,27,31)/t18-,22-/m1/s1
InChIKeyIVFCHFIJSORBPC-XMSQKQJNSA-N
MW426.47 g/mol
LogP3.43
Rot. Bonds4

About (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide

(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 46189101) has the molecular formula C22H24F2N6O and a molecular weight of 426.47 g/mol. Its IUPAC name is (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide
PubChem CID46189101
Molecular FormulaC22H24F2N6O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC Name(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide
SMILESC[C@]1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCN1
InChIInChI=1S/C22H24F2N6O/c1-22(8-3-9-25-22)21(31)27-17-13-26-30-11-7-19(28-20(17)30)29-10-2-4-18(29)15-12-14(23)5-6-16(15)24/h5-7,11-13,18,25H,2-4,8-10H2,1H3,(H,27,31)/t18-,22-/m1/s1
InChIKeyIVFCHFIJSORBPC-XMSQKQJNSA-N
XLogP3.43
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide (CID 46189101) is (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide is C[C@]1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCN1.
What is the InChIKey of (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is IVFCHFIJSORBPC-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H24F2N6O/c1-22(8-3-9-25-22)21(31)27-17-13-26-30-11-7-19(28-20(17)30)29-10-2-4-18(29)15-12-14(23)5-6-16(15)24/h5-7,11-13,18,25H,2-4,8-10H2,1H3,(H,27,31)/t18-,22-/m1/s1.
What are the key properties of (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide?
(2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46189101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).