N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

C27H25N9O — CID 53262152

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5cnc(C)n5)ccn34)c12
InChIInChI=1S/C27H25N9O/c1-4-21-26-22(9-6-10-23(26)35(33-21)15-19-8-5-7-17(2)30-19)31-27(37)24-14-28-25-13-20(11-12-34(24)25)36-16-29-18(3)32-36/h5-14,16H,4,15H2,1-3H3,(H,31,37)
InChIKeyLWUFSZFCFWDIQR-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.14
Rot. Bonds6

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53262152) has the molecular formula C27H25N9O and a molecular weight of 491.56 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53262152
Molecular FormulaC27H25N9O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5cnc(C)n5)ccn34)c12
InChIInChI=1S/C27H25N9O/c1-4-21-26-22(9-6-10-23(26)35(33-21)15-19-8-5-7-17(2)30-19)31-27(37)24-14-28-25-13-20(11-12-34(24)25)36-16-29-18(3)32-36/h5-14,16H,4,15H2,1-3H3,(H,31,37)
InChIKeyLWUFSZFCFWDIQR-UHFFFAOYSA-N
XLogP4.14
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 53262152) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-n5cnc(C)n5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LWUFSZFCFWDIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9O/c1-4-21-26-22(9-6-10-23(26)35(33-21)15-19-8-5-7-17(2)30-19)31-27(37)24-14-28-25-13-20(11-12-34(24)25)36-16-29-18(3)32-36/h5-14,16H,4,15H2,1-3H3,(H,31,37).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-methyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).