cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide

C25H32FN5O4Si — CID 163251816

About cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163251816) has the molecular formula C25H32FN5O4Si and a molecular weight of 513.65 g/mol. Its IUPAC name is cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 163251816
• Molecular Formula: C25H32FN5O4Si
• Molecular Weight: 513.65 g/mol
• Exact Mass: 513.22
• IUPAC Name: cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: COc1nccc(OC2CC2)c1-c1nn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12
• InChI: InChI=1S/C25H32FN5O4Si/c1-33-25-21(19(9-10-27-25)35-15-5-6-15)22-16-7-8-20(29-24(32)17-13-18(17)26)28-23(16)31(30-22)14-34-11-12-36(2,3)4/h7-10,15,17-18H,5-6,11-14H2,1-4H3,(H,28,29,32)/t17-,18+/m1/s1
• InChIKey: HVAZVAFAVYEAMA-MSOLQXFVSA-N
• XLogP: 4.65
• TPSA: 100.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.65
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide (CID 163251816) is cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is COc1nccc(OC2CC2)c1-c1nn(COCC[Si](C)(C)C)c2nc(NC(=O)[C@@H]3C[C@@H]3F)ccc12.

What is the InChIKey of cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is HVAZVAFAVYEAMA-MSOLQXFVSA-N. The full InChI is InChI=1S/C25H32FN5O4Si/c1-33-25-21(19(9-10-27-25)35-15-5-6-15)22-16-7-8-20(29-24(32)17-13-18(17)26)28-23(16)31(30-22)14-34-11-12-36(2,3)4/h7-10,15,17-18H,5-6,11-14H2,1-4H3,(H,28,29,32)/t17-,18+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide?

cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 513.65 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163251816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).