5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H21F2N5O2 — CID 67500634

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1
InChIInChI=1S/C23H21F2N5O2/c1-14-4-6-16(32-14)12-26-23(31)18-13-27-30-10-8-21(28-22(18)30)29-9-2-3-20(29)17-11-15(24)5-7-19(17)25/h4-8,10-11,13,20H,2-3,9,12H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyKUSZMPYJQONYEI-HXUWFJFHSA-N
MW437.45 g/mol
LogP4.18
Rot. Bonds5

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500634) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500634
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1
InChIInChI=1S/C23H21F2N5O2/c1-14-4-6-16(32-14)12-26-23(31)18-13-27-30-10-8-21(28-22(18)30)29-9-2-3-20(29)17-11-15(24)5-7-19(17)25/h4-8,10-11,13,20H,2-3,9,12H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyKUSZMPYJQONYEI-HXUWFJFHSA-N
XLogP4.18
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500634) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)o1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KUSZMPYJQONYEI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-14-4-6-16(32-14)12-26-23(31)18-13-27-30-10-8-21(28-22(18)30)29-9-2-3-20(29)17-11-15(24)5-7-19(17)25/h4-8,10-11,13,20H,2-3,9,12H2,1H3,(H,26,31)/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(5-methylfuran-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).