[(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid

C21H27N7O4 — CID 175931379

About [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid

[(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid (PubChem CID 175931379) has the molecular formula C21H27N7O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid.

Molecular Properties

• Compound Name: [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
• PubChem CID: 175931379
• Molecular Formula: C21H27N7O4
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.21
• IUPAC Name: [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
• SMILES: CO[C@H](C)c1cc2c(Nc3cc([C@H]4C[C@@H](N(C(=O)O)C5(C)CC5)CO4)[nH]n3)nccn2n1
• InChI: InChI=1S/C21H27N7O4/c1-12(31-3)14-9-16-19(22-6-7-27(16)26-14)23-18-10-15(24-25-18)17-8-13(11-32-17)28(20(29)30)21(2)4-5-21/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3,(H,29,30)(H2,22,23,24,25)/t12-,13-,17-/m1/s1
• InChIKey: FWMGKTWROGAMGY-PBFPGSCMSA-N
• XLogP: 3.27
• TPSA: 129.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

The IUPAC name of [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid (CID 175931379) is [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid.

What is the SMILES notation for [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

The canonical SMILES for [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid is CO[C@H](C)c1cc2c(Nc3cc([C@H]4C[C@@H](N(C(=O)O)C5(C)CC5)CO4)[nH]n3)nccn2n1.

What is the InChIKey of [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

The InChIKey is FWMGKTWROGAMGY-PBFPGSCMSA-N. The full InChI is InChI=1S/C21H27N7O4/c1-12(31-3)14-9-16-19(22-6-7-27(16)26-14)23-18-10-15(24-25-18)17-8-13(11-32-17)28(20(29)30)21(2)4-5-21/h6-7,9-10,12-13,17H,4-5,8,11H2,1-3H3,(H,29,30)(H2,22,23,24,25)/t12-,13-,17-/m1/s1.

What are the key properties of [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

[(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid has a molecular weight of 441.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[3-[[2-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid is sourced from PubChem (CID 175931379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).