N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C35H35N5O2 — CID 174232965

About N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 174232965) has the molecular formula C35H35N5O2 and a molecular weight of 557.70 g/mol. Its IUPAC name is N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 174232965
• Molecular Formula: C35H35N5O2
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.28
• IUPAC Name: N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@H]2CN(C(c3ccccc3)c3ccccc3)C2(C)C)cn1
• InChI: InChI=1S/C35H35N5O2/c1-23-18-29(27-16-17-40-28(19-27)20-32(38-40)37-34(41)26-14-15-26)30(21-36-23)42-31-22-39(35(31,2)3)33(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,16-21,26,31,33H,14-15,22H2,1-3H3,(H,37,38,41)/t31-/m0/s1
• InChIKey: UHVLZEYILUNQCK-HKBQPEDESA-N
• XLogP: 6.68
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 174232965) is N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@H]2CN(C(c3ccccc3)c3ccccc3)C2(C)C)cn1.

What is the InChIKey of N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is UHVLZEYILUNQCK-HKBQPEDESA-N. The full InChI is InChI=1S/C35H35N5O2/c1-23-18-29(27-16-17-40-28(19-27)20-32(38-40)37-34(41)26-14-15-26)30(21-36-23)42-31-22-39(35(31,2)3)33(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,16-21,26,31,33H,14-15,22H2,1-3H3,(H,37,38,41)/t31-/m0/s1.

What are the key properties of N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 557.70 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(3S)-1-benzhydryl-2,2-dimethylazetidin-3-yl]oxy-2-methyl-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 174232965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).