[3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea

C22H22N6O4 — CID 163377480

About [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea

[3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 163377480) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 163377480
• Molecular Formula: C22H22N6O4
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.17
• IUPAC Name: [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: CO[C@]1(c2cc(C)cc(-n3nc(-c4ccoc4)c4cnc(NC(N)=O)cc43)n2)CCOC1
• InChI: InChI=1S/C22H22N6O4/c1-13-7-17(22(30-2)4-6-32-12-22)25-19(8-13)28-16-9-18(26-21(23)29)24-10-15(16)20(27-28)14-3-5-31-11-14/h3,5,7-11H,4,6,12H2,1-2H3,(H3,23,24,26,29)/t22-/m1/s1
• InChIKey: NPJYTBWLYDXNND-JOCHJYFZSA-N
• XLogP: 3.14
• TPSA: 130.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea?

The IUPAC name of [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea (CID 163377480) is [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea.

What is the SMILES notation for [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea?

The canonical SMILES for [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea is CO[C@]1(c2cc(C)cc(-n3nc(-c4ccoc4)c4cnc(NC(N)=O)cc43)n2)CCOC1.

What is the InChIKey of [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea?

The InChIKey is NPJYTBWLYDXNND-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-13-7-17(22(30-2)4-6-32-12-22)25-19(8-13)28-16-9-18(26-21(23)29)24-10-15(16)20(27-28)14-3-5-31-11-14/h3,5,7-11H,4,6,12H2,1-2H3,(H3,23,24,26,29)/t22-/m1/s1.

What are the key properties of [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea?

[3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 434.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(furan-3-yl)-1-[6-[(3S)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 163377480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).