1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide

C28H24N6O2 — CID 169091479

About 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide

1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide (PubChem CID 169091479) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide
• PubChem CID: 169091479
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide
• SMILES: Cn1ncc2cc(C(=O)Nc3cccc(CNc4ncc(-c5ccncc5)c5c4CCO5)c3)ccc21
• InChI: InChI=1S/C28H24N6O2/c1-34-25-6-5-20(14-21(25)16-32-34)28(35)33-22-4-2-3-18(13-22)15-30-27-23-9-12-36-26(23)24(17-31-27)19-7-10-29-11-8-19/h2-8,10-11,13-14,16-17H,9,12,15H2,1H3,(H,30,31)(H,33,35)
• InChIKey: MKSZDIBUAYXXNE-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide?

The IUPAC name of 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide (CID 169091479) is 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide.

What is the SMILES notation for 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide?

The canonical SMILES for 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide is Cn1ncc2cc(C(=O)Nc3cccc(CNc4ncc(-c5ccncc5)c5c4CCO5)c3)ccc21.

What is the InChIKey of 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide?

The InChIKey is MKSZDIBUAYXXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-34-25-6-5-20(14-21(25)16-32-34)28(35)33-22-4-2-3-18(13-22)15-30-27-23-9-12-36-26(23)24(17-31-27)19-7-10-29-11-8-19/h2-8,10-11,13-14,16-17H,9,12,15H2,1H3,(H,30,31)(H,33,35).

What are the key properties of 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide?

1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide is sourced from PubChem (CID 169091479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).