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

C21H19F2N7O — CID 146047496

IUPAC3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1C1=C2N=CC=CN2N(N2CCC[C@@H]2c2cc(F)ccc2F)C1
InChIInChI=1S/C21H19F2N7O/c22-13-4-5-16(23)14(11-13)17-3-1-9-28(17)30-12-15(21-27-6-2-10-29(21)30)18-19(20(24)31)26-8-7-25-18/h2,4-8,10-11,17H,1,3,9,12H2,(H2,24,31)/t17-/m1/s1
InChIKeyAJBULEWZOJJEOO-QGZVFWFLSA-N
MW423.43 g/mol
LogP2.41
Rot. Bonds4

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

3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide (PubChem CID 146047496) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
PubChem CID146047496
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC Name3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1C1=C2N=CC=CN2N(N2CCC[C@@H]2c2cc(F)ccc2F)C1
InChIInChI=1S/C21H19F2N7O/c22-13-4-5-16(23)14(11-13)17-3-1-9-28(17)30-12-15(21-27-6-2-10-29(21)30)18-19(20(24)31)26-8-7-25-18/h2,4-8,10-11,17H,1,3,9,12H2,(H2,24,31)/t17-/m1/s1
InChIKeyAJBULEWZOJJEOO-QGZVFWFLSA-N
XLogP2.41
TPSA90.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide (CID 146047496) is 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide is NC(=O)c1nccnc1C1=C2N=CC=CN2N(N2CCC[C@@H]2c2cc(F)ccc2F)C1.
What is the InChIKey of 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is AJBULEWZOJJEOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19F2N7O/c22-13-4-5-16(23)14(11-13)17-3-1-9-28(17)30-12-15(21-27-6-2-10-29(21)30)18-19(20(24)31)26-8-7-25-18/h2,4-8,10-11,17H,1,3,9,12H2,(H2,24,31)/t17-/m1/s1.
What are the key properties of 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2H-pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146047496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).