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

C26H31FN6O3 — CID 67500564

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

N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500564) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67500564
• Molecular Formula: C26H31FN6O3
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.24
• IUPAC Name: N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NC1CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCCN4CCOCC4)c3)nc12
• InChI: InChI=1S/C26H31FN6O3/c27-19-14-18(15-21(16-19)36-13-10-31-8-11-35-12-9-31)23-2-1-6-32(23)24-5-7-33-25(30-24)22(17-28-33)26(34)29-20-3-4-20/h5,7,14-17,20,23H,1-4,6,8-13H2,(H,29,34)/t23-/m1/s1
• InChIKey: BXQLLJDNLWFKET-HSZRJFAPSA-N
• XLogP: 2.81
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500564) is N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(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-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(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)cc(OCCN4CCOCC4)c3)nc12.

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

The InChIKey is BXQLLJDNLWFKET-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H31FN6O3/c27-19-14-18(15-21(16-19)36-13-10-31-8-11-35-12-9-31)23-2-1-6-32(23)24-5-7-33-25(30-24)22(17-28-33)26(34)29-20-3-4-20/h5,7,14-17,20,23H,1-4,6,8-13H2,(H,29,34)/t23-/m1/s1.

What are the key properties of N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(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-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).