5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18N6O3 — CID 139390479

About 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139390479) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 139390479
• Molecular Formula: C19H18N6O3
• Molecular Weight: 378.39 g/mol
• Exact Mass: 378.14
• IUPAC Name: 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2ccc3ocnc3c2)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
• InChI: InChI=1S/C19H18N6O3/c1-20-17-7-13(10-2-5-16-14(6-10)21-9-28-16)23-18-11(8-22-25(17)18)19(27)24-12-3-4-15(12)26/h2,5-9,12,15,20,26H,3-4H2,1H3,(H,24,27)/t12-,15+/m1/s1
• InChIKey: BYAADLOUGHHBIF-DOMZBBRYSA-N
• XLogP: 1.83
• TPSA: 117.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.39
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139390479) is 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2ccc3ocnc3c2)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.

What is the InChIKey of 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BYAADLOUGHHBIF-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-20-17-7-13(10-2-5-16-14(6-10)21-9-28-16)23-18-11(8-22-25(17)18)19(27)24-12-3-4-15(12)26/h2,5-9,12,15,20,26H,3-4H2,1H3,(H,24,27)/t12-,15+/m1/s1.

What are the key properties of 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzoxazol-5-yl)-N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139390479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).