3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide

C22H24N6O — CID 156523487

About 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide

3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide (PubChem CID 156523487) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide
• PubChem CID: 156523487
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide
• SMILES: Cc1[nH]nc2cc(C(=O)Nc3cc4[nH]c(CN5CCC[C@@H]5C)cc4cn3)ccc12
• InChI: InChI=1S/C22H24N6O/c1-13-4-3-7-28(13)12-17-8-16-11-23-21(10-19(16)24-17)25-22(29)15-5-6-18-14(2)26-27-20(18)9-15/h5-6,8-11,13,24H,3-4,7,12H2,1-2H3,(H,26,27)(H,23,25,29)/t13-/m0/s1
• InChIKey: NQAUNNVLDHLHHB-ZDUSSCGKSA-N
• XLogP: 3.98
• TPSA: 89.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide?

The IUPAC name of 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide (CID 156523487) is 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide.

What is the SMILES notation for 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide?

The canonical SMILES for 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide is Cc1[nH]nc2cc(C(=O)Nc3cc4[nH]c(CN5CCC[C@@H]5C)cc4cn3)ccc12.

What is the InChIKey of 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide?

The InChIKey is NQAUNNVLDHLHHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H24N6O/c1-13-4-3-7-28(13)12-17-8-16-11-23-21(10-19(16)24-17)25-22(29)15-5-6-18-14(2)26-27-20(18)9-15/h5-6,8-11,13,24H,3-4,7,12H2,1-2H3,(H,26,27)(H,23,25,29)/t13-/m0/s1.

What are the key properties of 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide?

3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide is sourced from PubChem (CID 156523487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).