N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H26FN5O3 — CID 67501650

IUPACN-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCOc1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1
InChIInChI=1S/C23H26FN5O3/c1-31-9-10-32-18-12-15(11-16(24)13-18)20-3-2-7-28(20)21-6-8-29-22(27-21)19(14-25-29)23(30)26-17-4-5-17/h6,8,11-14,17,20H,2-5,7,9-10H2,1H3,(H,26,30)/t20-/m1/s1
InChIKeyNZFWYKNHDNDHFJ-HXUWFJFHSA-N
MW439.49 g/mol
LogP3.13
Rot. Bonds8

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

N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501650) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501650
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC NameN-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCCOc1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1
InChIInChI=1S/C23H26FN5O3/c1-31-9-10-32-18-12-15(11-16(24)13-18)20-3-2-7-28(20)21-6-8-29-22(27-21)19(14-25-29)23(30)26-17-4-5-17/h6,8,11-14,17,20H,2-5,7,9-10H2,1H3,(H,26,30)/t20-/m1/s1
InChIKeyNZFWYKNHDNDHFJ-HXUWFJFHSA-N
XLogP3.13
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501650) is N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCCOc1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NZFWYKNHDNDHFJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-31-9-10-32-18-12-15(11-16(24)13-18)20-3-2-7-28(20)21-6-8-29-22(27-21)19(14-25-29)23(30)26-17-4-5-17/h6,8,11-14,17,20H,2-5,7,9-10H2,1H3,(H,26,30)/t20-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).