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

C22H25N7O — CID 156503329

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

3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide (PubChem CID 156503329) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide.

Molecular Properties

• Compound Name: 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
• PubChem CID: 156503329
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
• SMILES: C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(N)nn(C)c4c3)cc2[nH]1
• InChI: InChI=1S/C22H25N7O/c1-13-4-3-7-29(13)12-16-8-15-11-24-20(10-18(15)25-16)26-22(30)14-5-6-17-19(9-14)28(2)27-21(17)23/h5-6,8-11,13,25H,3-4,7,12H2,1-2H3,(H2,23,27)(H,24,26,30)/t13-/m0/s1
• InChIKey: DGEJNGILJDIIAW-ZDUSSCGKSA-N
• XLogP: 3.27
• TPSA: 104.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide (CID 156503329) is 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide.

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

The canonical SMILES for 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide is C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3ccc4c(N)nn(C)c4c3)cc2[nH]1.

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

The InChIKey is DGEJNGILJDIIAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25N7O/c1-13-4-3-7-29(13)12-16-8-15-11-24-20(10-18(15)25-16)26-22(30)14-5-6-17-19(9-14)28(2)27-21(17)23/h5-6,8-11,13,25H,3-4,7,12H2,1-2H3,(H2,23,27)(H,24,26,30)/t13-/m0/s1.

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

3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide is sourced from PubChem (CID 156503329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).