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

C21H23F2N5O2 — CID 67501260

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H23F2N5O2/c1-2-14(12-29)25-21(30)16-11-24-28-9-7-19(26-20(16)28)27-8-3-4-18(27)15-10-13(22)5-6-17(15)23/h5-7,9-11,14,18,29H,2-4,8,12H2,1H3,(H,25,30)/t14-,18+/m0/s1
InChIKeyOJEYPUNKJUVVID-KBXCAEBGSA-N
MW415.44 g/mol
LogP2.85
Rot. Bonds6

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501260) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501260
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H23F2N5O2/c1-2-14(12-29)25-21(30)16-11-24-28-9-7-19(26-20(16)28)27-8-3-4-18(27)15-10-13(22)5-6-17(15)23/h5-7,9-11,14,18,29H,2-4,8,12H2,1H3,(H,25,30)/t14-,18+/m0/s1
InChIKeyOJEYPUNKJUVVID-KBXCAEBGSA-N
XLogP2.85
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501260) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OJEYPUNKJUVVID-KBXCAEBGSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-2-14(12-29)25-21(30)16-11-24-28-9-7-19(26-20(16)28)27-8-3-4-18(27)15-10-13(22)5-6-17(15)23/h5-7,9-11,14,18,29H,2-4,8,12H2,1H3,(H,25,30)/t14-,18+/m0/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 415.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 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-[(2S)-1-hydroxybutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).