[1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea

C23H29N7O3 — CID 172722766

About [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea

[1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 172722766) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
• PubChem CID: 172722766
• Molecular Formula: C23H29N7O3
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.23
• IUPAC Name: [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea
• SMILES: COC1(c2cc(N3CCCCC3)cc(-n3nc(C)c4cnc(NC(N)=O)cc43)n2)CCOC1
• InChI: InChI=1S/C23H29N7O3/c1-15-17-13-25-20(27-22(24)31)12-18(17)30(28-15)21-11-16(29-7-4-3-5-8-29)10-19(26-21)23(32-2)6-9-33-14-23/h10-13H,3-9,14H2,1-2H3,(H3,24,25,27,31)
• InChIKey: GSUARXXKTVKUDN-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 120.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea (CID 172722766) is [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea.

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

The canonical SMILES for [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea is COC1(c2cc(N3CCCCC3)cc(-n3nc(C)c4cnc(NC(N)=O)cc43)n2)CCOC1.

What is the InChIKey of [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea?

The InChIKey is GSUARXXKTVKUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-15-17-13-25-20(27-22(24)31)12-18(17)30(28-15)21-11-16(29-7-4-3-5-8-29)10-19(26-21)23(32-2)6-9-33-14-23/h10-13H,3-9,14H2,1-2H3,(H3,24,25,27,31).

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

[1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 451.53 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-(3-methoxyoxolan-3-yl)-4-piperidin-1-yl-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 172722766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).