N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C24H26FN7O2 — CID 135204354

About N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 135204354) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
• PubChem CID: 135204354
• Molecular Formula: C24H26FN7O2
• Molecular Weight: 463.52 g/mol
• Exact Mass: 463.21
• IUPAC Name: N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
• SMILES: CC(C)c1cc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N5CC[C@@H](N)C5)c34)cc2F)on1
• InChI: InChI=1S/C24H26FN7O2/c1-13(2)19-10-20(34-31-19)24(33)28-11-15-4-3-14(9-18(15)25)17-5-7-27-22-21(17)23(30-29-22)32-8-6-16(26)12-32/h3-5,7,9-10,13,16H,6,8,11-12,26H2,1-2H3,(H,28,33)(H,27,29,30)/t16-/m1/s1
• InChIKey: XBCUNUUELKDOPJ-MRXNPFEDSA-N
• XLogP: 3.34
• TPSA: 125.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.52
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 135204354) is N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(N5CC[C@@H](N)C5)c34)cc2F)on1.

What is the InChIKey of N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?

The InChIKey is XBCUNUUELKDOPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-13(2)19-10-20(34-31-19)24(33)28-11-15-4-3-14(9-18(15)25)17-5-7-27-22-21(17)23(30-29-22)32-8-6-16(26)12-32/h3-5,7,9-10,13,16H,6,8,11-12,26H2,1-2H3,(H,28,33)(H,27,29,30)/t16-/m1/s1.

What are the key properties of N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?

N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-[(3R)-3-aminopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135204354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).