2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene

C18H19F3N6O — CID 142335517

IUPAC2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene
SMILESCNC(=O)c1c(N)nn2ccc(N3CCC(F)C3)nc12.Fc1ccc(F)cc1
InChIInChI=1S/C12H15FN6O.C6H4F2/c1-15-12(20)9-10(14)17-19-5-3-8(16-11(9)19)18-4-2-7(13)6-18;7-5-1-2-6(8)4-3-5/h3,5,7H,2,4,6H2,1H3,(H2,14,17)(H,15,20);1-4H
InChIKeyKNRBHPPQSHNTHT-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene

2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene (PubChem CID 142335517) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene.

Molecular Properties

Compound Name2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene
PubChem CID142335517
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC Name2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene
SMILESCNC(=O)c1c(N)nn2ccc(N3CCC(F)C3)nc12.Fc1ccc(F)cc1
InChIInChI=1S/C12H15FN6O.C6H4F2/c1-15-12(20)9-10(14)17-19-5-3-8(16-11(9)19)18-4-2-7(13)6-18;7-5-1-2-6(8)4-3-5/h3,5,7H,2,4,6H2,1H3,(H2,14,17)(H,15,20);1-4H
InChIKeyKNRBHPPQSHNTHT-UHFFFAOYSA-N
XLogP2.18
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480543
2-amino-5-(3-phosphanylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139455236
2-amino-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480286
2-amino-N-(2-hydroxyethoxy)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166763835
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449642
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(dimethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134480328
ethyl 2-amino-5-[2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 134480577
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139449662
fluoro 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 166763914
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139449703
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
2-amino-5-[2-(5-fluoro-2-propylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbothioamide
CID 139455205

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene?
The IUPAC name of 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene (CID 142335517) is 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene.
What is the SMILES notation for 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene?
The canonical SMILES for 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene is CNC(=O)c1c(N)nn2ccc(N3CCC(F)C3)nc12.Fc1ccc(F)cc1.
What is the InChIKey of 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene?
The InChIKey is KNRBHPPQSHNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6O.C6H4F2/c1-15-12(20)9-10(14)17-19-5-3-8(16-11(9)19)18-4-2-7(13)6-18;7-5-1-2-6(8)4-3-5/h3,5,7H,2,4,6H2,1H3,(H2,14,17)(H,15,20);1-4H.
What are the key properties of 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene?
2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene has a molecular weight of 392.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-fluoropyrrolidin-1-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;1,4-difluorobenzene is sourced from PubChem (CID 142335517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).