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

C21H18F2N6O — CID 58386283

IUPAC1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1
InChIInChI=1S/C21H18F2N6O/c22-13-3-4-15(23)14(10-13)17-2-1-8-28(17)18-5-9-29-19(27-18)16(11-25-29)26-20(30)21(12-24)6-7-21/h3-5,9-11,17H,1-2,6-8H2,(H,26,30)/t17-/m1/s1
InChIKeyXFKSYGFIGZCVDN-QGZVFWFLSA-N
MW408.41 g/mol
LogP3.59
Rot. Bonds4

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

1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 58386283) has the molecular formula C21H18F2N6O and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide
PubChem CID58386283
Molecular FormulaC21H18F2N6O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1
InChIInChI=1S/C21H18F2N6O/c22-13-3-4-15(23)14(10-13)17-2-1-8-28(17)18-5-9-29-19(27-18)16(11-25-29)26-20(30)21(12-24)6-7-21/h3-5,9-11,17H,1-2,6-8H2,(H,26,30)/t17-/m1/s1
InChIKeyXFKSYGFIGZCVDN-QGZVFWFLSA-N
XLogP3.59
TPSA86.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide (CID 58386283) is 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1.
What is the InChIKey of 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is XFKSYGFIGZCVDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18F2N6O/c22-13-3-4-15(23)14(10-13)17-2-1-8-28(17)18-5-9-29-19(27-18)16(11-25-29)26-20(30)21(12-24)6-7-21/h3-5,9-11,17H,1-2,6-8H2,(H,26,30)/t17-/m1/s1.
What are the key properties of 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide?
1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58386283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).