5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23F2N7O — CID 67501945

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cncc1CCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C23H23F2N7O/c1-30-14-26-12-16(30)6-8-27-23(33)18-13-28-32-10-7-21(29-22(18)32)31-9-2-3-20(31)17-11-15(24)4-5-19(17)25/h4-5,7,10-14,20H,2-3,6,8-9H2,1H3,(H,27,33)/t20-/m1/s1
InChIKeyGGJNWRFNZLJBRQ-HXUWFJFHSA-N
MW451.48 g/mol
LogP3.06
Rot. Bonds6

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501945) has the molecular formula C23H23F2N7O and a molecular weight of 451.48 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501945
Molecular FormulaC23H23F2N7O
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cncc1CCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C23H23F2N7O/c1-30-14-26-12-16(30)6-8-27-23(33)18-13-28-32-10-7-21(29-22(18)32)31-9-2-3-20(31)17-11-15(24)4-5-19(17)25/h4-5,7,10-14,20H,2-3,6,8-9H2,1H3,(H,27,33)/t20-/m1/s1
InChIKeyGGJNWRFNZLJBRQ-HXUWFJFHSA-N
XLogP3.06
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501945) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cncc1CCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GGJNWRFNZLJBRQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23F2N7O/c1-30-14-26-12-16(30)6-8-27-23(33)18-13-28-32-10-7-21(29-22(18)32)31-9-2-3-20(31)17-11-15(24)4-5-19(17)25/h4-5,7,10-14,20H,2-3,6,8-9H2,1H3,(H,27,33)/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).