2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24F2N6O2 — CID 134480331

IUPAC2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)ONC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H24F2N6O2/c1-21(2,3)31-27-20(30)17-18(24)26-29-10-8-16(25-19(17)29)28-9-4-5-15(28)13-11-12(22)6-7-14(13)23/h6-8,10-11,15H,4-5,9H2,1-3H3,(H2,24,26)(H,27,30)/t15-/m1/s1
InChIKeyHGLNEOSHJNPWMH-OAHLLOKOSA-N
MW430.46 g/mol
LogP3.39
Rot. Bonds4

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

2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134480331) has the molecular formula C21H24F2N6O2 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134480331
Molecular FormulaC21H24F2N6O2
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)ONC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H24F2N6O2/c1-21(2,3)31-27-20(30)17-18(24)26-29-10-8-16(25-19(17)29)28-9-4-5-15(28)13-11-12(22)6-7-14(13)23/h6-8,10-11,15H,4-5,9H2,1-3H3,(H2,24,26)(H,27,30)/t15-/m1/s1
InChIKeyHGLNEOSHJNPWMH-OAHLLOKOSA-N
XLogP3.39
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134480331) is 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)ONC(=O)c1c(N)nn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HGLNEOSHJNPWMH-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24F2N6O2/c1-21(2,3)31-27-20(30)17-18(24)26-29-10-8-16(25-19(17)29)28-9-4-5-15(28)13-11-12(22)6-7-14(13)23/h6-8,10-11,15H,4-5,9H2,1-3H3,(H2,24,26)(H,27,30)/t15-/m1/s1.
What are the key properties of 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134480331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).