7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C28H26N8O — CID 57387407

IUPAC7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(-c6c(C)n[nH]c6C)ccn45)cccc32)n1
InChIInChI=1S/C28H26N8O/c1-16-7-5-8-21(30-16)15-36-23-10-6-9-22(27(23)19(4)34-36)31-28(37)24-14-29-25-13-20(11-12-35(24)25)26-17(2)32-33-18(26)3/h5-14H,15H2,1-4H3,(H,31,37)(H,32,33)
InChIKeySKAJXIFUDJGRKI-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.00
Rot. Bonds5

About 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57387407) has the molecular formula C28H26N8O and a molecular weight of 490.57 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID57387407
Molecular FormulaC28H26N8O
Molecular Weight490.57 g/mol
Exact Mass490.22
IUPAC Name7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(-c6c(C)n[nH]c6C)ccn45)cccc32)n1
InChIInChI=1S/C28H26N8O/c1-16-7-5-8-21(30-16)15-36-23-10-6-9-22(27(23)19(4)34-36)31-28(37)24-14-29-25-13-20(11-12-35(24)25)26-17(2)32-33-18(26)3/h5-14H,15H2,1-4H3,(H,31,37)(H,32,33)
InChIKeySKAJXIFUDJGRKI-UHFFFAOYSA-N
XLogP5.00
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57387407) is 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(-c6c(C)n[nH]c6C)ccn45)cccc32)n1.
What is the InChIKey of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SKAJXIFUDJGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O/c1-16-7-5-8-21(30-16)15-36-23-10-6-9-22(27(23)19(4)34-36)31-28(37)24-14-29-25-13-20(11-12-35(24)25)26-17(2)32-33-18(26)3/h5-14H,15H2,1-4H3,(H,31,37)(H,32,33).
What are the key properties of 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57387407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).