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

C25H24N10O — CID 67259791

IUPACN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-n5cncn5)ccn34)c12
InChIInChI=1S/C25H24N10O/c1-3-19-24-20(6-5-7-21(24)34(31-19)14-17-8-10-32(4-2)30-17)29-25(36)22-13-27-23-12-18(9-11-33(22)23)35-16-26-15-28-35/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,36)
InChIKeyJRCPYNSPYPUPII-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.34
Rot. Bonds7

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

N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259791) has the molecular formula C25H24N10O and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259791
Molecular FormulaC25H24N10O
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC NameN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-n5cncn5)ccn34)c12
InChIInChI=1S/C25H24N10O/c1-3-19-24-20(6-5-7-21(24)34(31-19)14-17-8-10-32(4-2)30-17)29-25(36)22-13-27-23-12-18(9-11-33(22)23)35-16-26-15-28-35/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,36)
InChIKeyJRCPYNSPYPUPII-UHFFFAOYSA-N
XLogP3.34
TPSA112.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-(1,2,4-triazol-1-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-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67259791) is N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-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-(1,2,4-triazol-1-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-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(-n5cncn5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JRCPYNSPYPUPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N10O/c1-3-19-24-20(6-5-7-21(24)34(31-19)14-17-8-10-32(4-2)30-17)29-25(36)22-13-27-23-12-18(9-11-33(22)23)35-16-26-15-28-35/h5-13,15-16H,3-4,14H2,1-2H3,(H,29,36).
What are the key properties of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).