N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H26N6O3 — CID 146483089

About N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146483089) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146483089
• Molecular Formula: C24H26N6O3
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.21
• IUPAC Name: N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C#N)[C@]1(C)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1
• InChI: InChI=1S/C24H26N6O3/c1-16(13-25)24(2)12-17-10-19(20(11-21(17)33-15-24)29-6-8-32-9-7-29)28-23(31)18-14-27-30-5-3-4-26-22(18)30/h3-5,10-11,14,16H,6-9,12,15H2,1-2H3,(H,28,31)/t16?,24-/m0/s1
• InChIKey: MRQLBLYGXGGLOW-ODOSRFNGSA-N
• XLogP: 2.92
• TPSA: 104.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146483089) is N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C#N)[C@]1(C)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1.

What is the InChIKey of N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MRQLBLYGXGGLOW-ODOSRFNGSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16(13-25)24(2)12-17-10-19(20(11-21(17)33-15-24)29-6-8-32-9-7-29)28-23(31)18-14-27-30-5-3-4-26-22(18)30/h3-5,10-11,14,16H,6-9,12,15H2,1-2H3,(H,28,31)/t16?,24-/m0/s1.

What are the key properties of N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146483089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).