N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C21H23N5O3 — CID 170425124

About N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170425124) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• PubChem CID: 170425124
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
• SMILES: CO[C@]1(c2cccc(-n3nc(C4CC4)c4cnc(NC(C)=O)cc43)n2)CCOC1
• InChI: InChI=1S/C21H23N5O3/c1-13(27)23-18-10-16-15(11-22-18)20(14-6-7-14)25-26(16)19-5-3-4-17(24-19)21(28-2)8-9-29-12-21/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,23,27)/t21-/m1/s1
• InChIKey: MHBXQQKEZSRRPY-OAQYLSRUSA-N
• XLogP: 2.91
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170425124) is N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

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

The canonical SMILES for N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CO[C@]1(c2cccc(-n3nc(C4CC4)c4cnc(NC(C)=O)cc43)n2)CCOC1.

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

The InChIKey is MHBXQQKEZSRRPY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13(27)23-18-10-16-15(11-22-18)20(14-6-7-14)25-26(16)19-5-3-4-17(24-19)21(28-2)8-9-29-12-21/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,22,23,27)/t21-/m1/s1.

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

N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170425124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).