carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide

C37H32N8O5 — CID 165069135

About carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide

carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide (PubChem CID 165069135) has the molecular formula C37H32N8O5 and a molecular weight of 668.71 g/mol. Its IUPAC name is carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide
• PubChem CID: 165069135
• Molecular Formula: C37H32N8O5
• Molecular Weight: 668.71 g/mol
• Exact Mass: 668.25
• IUPAC Name: carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide
• SMILES: Cc1ccc(-c2nnn(-c3ccc(CCN(C)Cc4ccc5c(cnn5C)c4)cc3)n2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1.O=C=O
• InChI: InChI=1S/C36H32N8O3.CO2/c1-23-8-14-28(30(18-23)38-36(46)34-20-32(45)29-6-4-5-7-33(29)47-34)35-39-41-44(40-35)27-12-9-24(10-13-27)16-17-42(2)22-25-11-15-31-26(19-25)21-37-43(31)3;2-1-3/h4-15,18-21H,16-17,22H2,1-3H3,(H,38,46)
• InChIKey: SLSUZOUUHZWNLC-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 158.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.71
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide?

The IUPAC name of carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide (CID 165069135) is carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide?

The canonical SMILES for carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide is Cc1ccc(-c2nnn(-c3ccc(CCN(C)Cc4ccc5c(cnn5C)c4)cc3)n2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1.O=C=O.

What is the InChIKey of carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide?

The InChIKey is SLSUZOUUHZWNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N8O3.CO2/c1-23-8-14-28(30(18-23)38-36(46)34-20-32(45)29-6-4-5-7-33(29)47-34)35-39-41-44(40-35)27-12-9-24(10-13-27)16-17-42(2)22-25-11-15-31-26(19-25)21-37-43(31)3;2-1-3/h4-15,18-21H,16-17,22H2,1-3H3,(H,38,46);.

What are the key properties of carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide?

carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 668.71 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;N-[5-methyl-2-[2-[4-[2-[methyl-[(1-methylindazol-5-yl)methyl]amino]ethyl]phenyl]tetrazol-5-yl]phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 165069135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).