1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C18H21N5O3 — CID 158379504

About 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 158379504) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 158379504
• Molecular Formula: C18H21N5O3
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.16
• IUPAC Name: 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21
• InChI: InChI=1S/C18H21N5O3/c1-2-3-15(24)13-7-10-6-12(10)23(13)16(25)9-22-14-8-20-5-4-11(14)17(21-22)18(19)26/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H2,19,26)/t10-,12-,13+/m1/s1
• InChIKey: GVPPGJSQXRQEFB-RTXFEEFZSA-N
• XLogP: 0.89
• TPSA: 111.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 158379504) is 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is CCCC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc21.

What is the InChIKey of 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is GVPPGJSQXRQEFB-RTXFEEFZSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-3-15(24)13-7-10-6-12(10)23(13)16(25)9-22-14-8-20-5-4-11(14)17(21-22)18(19)26/h4-5,8,10,12-13H,2-3,6-7,9H2,1H3,(H2,19,26)/t10-,12-,13+/m1/s1.

What are the key properties of 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R,3S,5R)-3-butanoyl-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 158379504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).