5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29N7O4 — CID 146383396

About 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383396) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383396
• Molecular Formula: C23H29N7O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.23
• IUPAC Name: 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@@H]3CC[C@@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12
• InChI: InChI=1S/C23H29N7O4/c1-24-20-11-19(27-16-4-3-9-29(23(16)33)17-7-8-18(17)31)28-21-15(12-25-30(20)21)22(32)26-13-5-6-14(10-13)34-2/h3-4,9,11-14,17-18,24,31H,5-8,10H2,1-2H3,(H,26,32)(H,27,28)/t13-,14-,17-,18+/m1/s1
• InChIKey: LPZWHJDIJMXERW-DTDBQYNISA-N
• XLogP: 1.67
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383396) is 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CC[C@@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H](OC)C3)cnn12.

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

The InChIKey is LPZWHJDIJMXERW-DTDBQYNISA-N. The full InChI is InChI=1S/C23H29N7O4/c1-24-20-11-19(27-16-4-3-9-29(23(16)33)17-7-8-18(17)31)28-21-15(12-25-30(20)21)22(32)26-13-5-6-14(10-13)34-2/h3-4,9,11-14,17-18,24,31H,5-8,10H2,1-2H3,(H,26,32)(H,27,28)/t13-,14-,17-,18+/m1/s1.

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

5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,3R)-3-methoxycyclopentyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).