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

C27H27N9O — CID 67259773

IUPACN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnn(C)c5)ccn34)c12
InChIInChI=1S/C27H27N9O/c1-4-21-26-22(7-6-8-23(26)36(32-21)17-20-10-11-34(5-2)31-20)30-27(37)24-15-28-25-13-18(9-12-35(24)25)19-14-29-33(3)16-19/h6-16H,4-5,17H2,1-3H3,(H,30,37)
InChIKeyLBXXOGDHNJALPH-UHFFFAOYSA-N
MW493.58 g/mol
LogP4.16
Rot. Bonds7

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

N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259773) has the molecular formula C27H27N9O and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259773
Molecular FormulaC27H27N9O
Molecular Weight493.58 g/mol
Exact Mass493.23
IUPAC NameN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnn(C)c5)ccn34)c12
InChIInChI=1S/C27H27N9O/c1-4-21-26-22(7-6-8-23(26)36(32-21)17-20-10-11-34(5-2)31-20)30-27(37)24-15-28-25-13-18(9-12-35(24)25)19-14-29-33(3)16-19/h6-16H,4-5,17H2,1-3H3,(H,30,37)
InChIKeyLBXXOGDHNJALPH-UHFFFAOYSA-N
XLogP4.16
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67259773) is N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnn(C)c5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LBXXOGDHNJALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O/c1-4-21-26-22(7-6-8-23(26)36(32-21)17-20-10-11-34(5-2)31-20)30-27(37)24-15-28-25-13-18(9-12-35(24)25)19-14-29-33(3)16-19/h6-16H,4-5,17H2,1-3H3,(H,30,37).
What are the key properties of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).