5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17F2N5O2 — CID 86766706

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyFUHAANUNQWUCBT-OAHLLOKOSA-N
MW373.36 g/mol
LogP2.64
Rot. Bonds4

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86766706) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86766706
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyFUHAANUNQWUCBT-OAHLLOKOSA-N
XLogP2.64
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86766706) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is CONC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FUHAANUNQWUCBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-27-23-18(26)13-10-21-25-8-6-16(22-17(13)25)24-7-2-3-15(24)12-9-11(19)4-5-14(12)20/h4-6,8-10,15H,2-3,7H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86766706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).