N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide

C18H25N5O2 — CID 110134597

About N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide

N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 110134597) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide
• PubChem CID: 110134597
• Molecular Formula: C18H25N5O2
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.20
• IUPAC Name: N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide
• SMILES: CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2n[nH]c3ccccc23)N1C
• InChI: InChI=1S/C18H25N5O2/c1-22(2)16(24)10-12-8-9-13(23(12)3)11-19-18(25)17-14-6-4-5-7-15(14)20-21-17/h4-7,12-13H,8-11H2,1-3H3,(H,19,25)(H,20,21)/t12-,13+/m1/s1
• InChIKey: HBCZXQOYHKYCET-OLZOCXBDSA-N
• XLogP: 1.23
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide (CID 110134597) is N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide is CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2n[nH]c3ccccc23)N1C.

What is the InChIKey of N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide?

The InChIKey is HBCZXQOYHKYCET-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22(2)16(24)10-12-8-9-13(23(12)3)11-19-18(25)17-14-6-4-5-7-15(14)20-21-17/h4-7,12-13H,8-11H2,1-3H3,(H,19,25)(H,20,21)/t12-,13+/m1/s1.

What are the key properties of N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide?

N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S,5R)-5-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 110134597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).