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

IUPACcarbon 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
SMILESCc1ccc(-c2nnn(-c3ccc(CCN(C)Cc4ccc5c(cnn5C)c4)cc3)n2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1.O=C=O
InChIInChI=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);
InChIKeySLSUZOUUHZWNLC-UHFFFAOYSA-N
MW668.71 g/mol
LogP4.97
Rot. Bonds9

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 Namecarbon 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 CID165069135
Molecular FormulaC37H32N8O5
Molecular Weight668.71 g/mol
Exact Mass668.25
IUPAC Namecarbon 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
SMILESCc1ccc(-c2nnn(-c3ccc(CCN(C)Cc4ccc5c(cnn5C)c4)cc3)n2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1.O=C=O
InChIInChI=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);
InChIKeySLSUZOUUHZWNLC-UHFFFAOYSA-N
XLogP4.97
TPSA158.11 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.71
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).