N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H25F2N5O — CID 67500568

IUPACN-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1CC2CCC1C2)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1
InChIKeyINXXEGXCIVUCST-USWJAIAZSA-N
MW437.49 g/mol
LogP4.27
Rot. Bonds4

About N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500568) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500568
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC NameN-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@H]1CC2CCC1C2)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1
InChIKeyINXXEGXCIVUCST-USWJAIAZSA-N
XLogP4.27
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500568) is N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@H]1CC2CCC1C2)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is INXXEGXCIVUCST-USWJAIAZSA-N. The full InChI is InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1.
What are the key properties of N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).