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

C22H23F2N5O2 — CID 67501161

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C22H23F2N5O2/c23-13-3-6-18(24)16(10-13)19-2-1-8-28(19)20-7-9-29-21(27-20)17(12-25-29)22(31)26-14-4-5-15(30)11-14/h3,6-7,9-10,12,14-15,19,30H,1-2,4-5,8,11H2,(H,26,31)/t14-,15-,19+/m0/s1
InChIKeyWDEZXSKNKVBRGN-YZVOILCLSA-N
MW427.46 g/mol
LogP2.99
Rot. Bonds4

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501161) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501161
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C22H23F2N5O2/c23-13-3-6-18(24)16(10-13)19-2-1-8-28(19)20-7-9-29-21(27-20)17(12-25-29)22(31)26-14-4-5-15(30)11-14/h3,6-7,9-10,12,14-15,19,30H,1-2,4-5,8,11H2,(H,26,31)/t14-,15-,19+/m0/s1
InChIKeyWDEZXSKNKVBRGN-YZVOILCLSA-N
XLogP2.99
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501161) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@H]1CC[C@H](O)C1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WDEZXSKNKVBRGN-YZVOILCLSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c23-13-3-6-18(24)16(10-13)19-2-1-8-28(19)20-7-9-29-21(27-20)17(12-25-29)22(31)26-14-4-5-15(30)11-14/h3,6-7,9-10,12,14-15,19,30H,1-2,4-5,8,11H2,(H,26,31)/t14-,15-,19+/m0/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 2.99, 4 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-[(1S,3S)-3-hydroxycyclopentyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).