N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H31FN6O3 — CID 67500657

IUPACN-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C26H31FN6O3/c27-18-3-6-23(36-15-12-31-10-13-35-14-11-31)20(16-18)22-2-1-8-32(22)24-7-9-33-25(30-24)21(17-28-33)26(34)29-19-4-5-19/h3,6-7,9,16-17,19,22H,1-2,4-5,8,10-15H2,(H,29,34)/t22-/m1/s1
InChIKeyDXRCURBJOZPWHE-JOCHJYFZSA-N
MW494.57 g/mol
LogP2.81
Rot. Bonds8

About N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500657) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500657
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC NameN-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCN3CCOCC3)nc12
InChIInChI=1S/C26H31FN6O3/c27-18-3-6-23(36-15-12-31-10-13-35-14-11-31)20(16-18)22-2-1-8-32(22)24-7-9-33-25(30-24)21(17-28-33)26(34)29-19-4-5-19/h3,6-7,9,16-17,19,22H,1-2,4-5,8,10-15H2,(H,29,34)/t22-/m1/s1
InChIKeyDXRCURBJOZPWHE-JOCHJYFZSA-N
XLogP2.81
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 135565923
CID 135565923
CID 137455315
CID 137455315
CID 86666030
CID 86666030
CID 146662764
CID 146662764
CID 165414845
CID 165414845
CID 25101223
CID 25101223
CID 129284442
CID 129284442
CID 137348687
CID 137348687
CID 118452766
CID 118452766
CID 155126886
CID 155126886
CID 155668394
CID 155668394
CID 162506461
CID 162506461

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500657) is N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCCN3CCOCC3)nc12.
What is the InChIKey of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DXRCURBJOZPWHE-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31FN6O3/c27-18-3-6-23(36-15-12-31-10-13-35-14-11-31)20(16-18)22-2-1-8-32(22)24-7-9-33-25(30-24)21(17-28-33)26(34)29-19-4-5-19/h3,6-7,9,16-17,19,22H,1-2,4-5,8,10-15H2,(H,29,34)/t22-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R)-2-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).