N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26FN5O4 — CID 66853176

IUPACN-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCC(O)CO)c3)nc12
InChIInChI=1S/C23H26FN5O4/c24-15-8-14(9-18(10-15)33-13-17(31)12-30)20-2-1-6-28(20)21-5-7-29-22(27-21)19(11-25-29)23(32)26-16-3-4-16/h5,7-11,16-17,20,30-31H,1-4,6,12-13H2,(H,26,32)/t17?,20-/m1/s1
InChIKeyYDZSAJWQPHVDHL-UUSAFJCLSA-N
MW455.49 g/mol
LogP1.83
Rot. Bonds8

About N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66853176) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66853176
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC NameN-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCC(O)CO)c3)nc12
InChIInChI=1S/C23H26FN5O4/c24-15-8-14(9-18(10-15)33-13-17(31)12-30)20-2-1-6-28(20)21-5-7-29-22(27-21)19(11-25-29)23(32)26-16-3-4-16/h5,7-11,16-17,20,30-31H,1-4,6,12-13H2,(H,26,32)/t17?,20-/m1/s1
InChIKeyYDZSAJWQPHVDHL-UUSAFJCLSA-N
XLogP1.83
TPSA112.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66853176) is N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCC(O)CO)c3)nc12.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YDZSAJWQPHVDHL-UUSAFJCLSA-N. The full InChI is InChI=1S/C23H26FN5O4/c24-15-8-14(9-18(10-15)33-13-17(31)12-30)20-2-1-6-28(20)21-5-7-29-22(27-21)19(11-25-29)23(32)26-16-3-4-16/h5,7-11,16-17,20,30-31H,1-4,6,12-13H2,(H,26,32)/t17?,20-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-[3-(2,3-dihydroxypropoxy)-5-fluorophenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).