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

C22H25N5O3 — CID 152925341

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

N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 152925341) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 152925341
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1(C)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1
• InChI: InChI=1S/C22H25N5O3/c1-22(2)12-15-10-17(18(11-19(15)30-14-22)26-6-8-29-9-7-26)25-21(28)16-13-24-27-5-3-4-23-20(16)27/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H,25,28)
• InChIKey: UJWZQRIPSGPHTB-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 80.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 152925341) is N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(C)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1.

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

The InChIKey is UJWZQRIPSGPHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-22(2)12-15-10-17(18(11-19(15)30-14-22)26-6-8-29-9-7-26)25-21(28)16-13-24-27-5-3-4-23-20(16)27/h3-5,10-11,13H,6-9,12,14H2,1-2H3,(H,25,28).

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

N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 152925341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).