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

C21H19F2N7O — CID 129214639

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1C=NN2C=CC(N3CCC[C@@H]3c3cc(F)ccc3F)=NC12)c1cnccn1
InChIInChI=1S/C21H19F2N7O/c22-13-3-4-15(23)14(10-13)18-2-1-8-29(18)19-5-9-30-20(28-19)16(12-26-30)27-21(31)17-11-24-6-7-25-17/h3-7,9-12,16,18,20H,1-2,8H2,(H,27,31)/t16?,18-,20?/m1/s1
InChIKeyHXSUZNONSNYZKS-KGXSXCIVSA-N
MW423.43 g/mol
LogP2.24
Rot. Bonds3

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

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide (PubChem CID 129214639) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
PubChem CID129214639
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1C=NN2C=CC(N3CCC[C@@H]3c3cc(F)ccc3F)=NC12)c1cnccn1
InChIInChI=1S/C21H19F2N7O/c22-13-3-4-15(23)14(10-13)18-2-1-8-29(18)19-5-9-30-20(28-19)16(12-26-30)27-21(31)17-11-24-6-7-25-17/h3-7,9-12,16,18,20H,1-2,8H2,(H,27,31)/t16?,18-,20?/m1/s1
InChIKeyHXSUZNONSNYZKS-KGXSXCIVSA-N
XLogP2.24
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-hydroxyazetidin-1-yl)-2-oxoacetamide
CID 129214709
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxamide
CID 134490987
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide
CID 67330295
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3a-methyl-3H-pyrazolo[1,5-a]pyrimidin-3-yl]-3-methoxyazetidine-1-carboxamide
CID 129214673
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrazine-2-carboxamide
CID 110750976
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 45273880
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
N-[cyclopropylmethyl(pyridin-3-yl)sulfamoyl]-6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118590596
3-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-pyridin-2-yl-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 166876606
N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]acetamide
CID 67308144
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 67330537
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide (CID 129214639) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide is O=C(NC1C=NN2C=CC(N3CCC[C@@H]3c3cc(F)ccc3F)=NC12)c1cnccn1.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is HXSUZNONSNYZKS-KGXSXCIVSA-N. The full InChI is InChI=1S/C21H19F2N7O/c22-13-3-4-15(23)14(10-13)18-2-1-8-29(18)19-5-9-30-20(28-19)16(12-26-30)27-21(31)17-11-24-6-7-25-17/h3-7,9-12,16,18,20H,1-2,8H2,(H,27,31)/t16?,18-,20?/m1/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,3a-dihydropyrazolo[1,5-a]pyrimidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 129214639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).