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

C29H34N8O2 — CID 67260886

IUPACN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12
InChIInChI=1S/C29H34N8O2/c1-3-23-28-24(8-7-9-25(28)37(33-23)20-21-10-14-35(4-2)32-21)31-29(38)26-19-30-27-18-22(11-15-36(26)27)39-17-16-34-12-5-6-13-34/h7-11,14-15,18-19H,3-6,12-13,16-17,20H2,1-2H3,(H,31,38)
InChIKeyDLURWSDCNVGXGS-UHFFFAOYSA-N
MW526.65 g/mol
LogP4.24
Rot. Bonds10

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

N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260886) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260886
Molecular FormulaC29H34N8O2
Molecular Weight526.65 g/mol
Exact Mass526.28
IUPAC NameN-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12
InChIInChI=1S/C29H34N8O2/c1-3-23-28-24(8-7-9-25(28)37(33-23)20-21-10-14-35(4-2)32-21)31-29(38)26-19-30-27-18-22(11-15-36(26)27)39-17-16-34-12-5-6-13-34/h7-11,14-15,18-19H,3-6,12-13,16-17,20H2,1-2H3,(H,31,38)
InChIKeyDLURWSDCNVGXGS-UHFFFAOYSA-N
XLogP4.24
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 54.24
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-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 67260886) is N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)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-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCCC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DLURWSDCNVGXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c1-3-23-28-24(8-7-9-25(28)37(33-23)20-21-10-14-35(4-2)32-21)31-29(38)26-19-30-27-18-22(11-15-36(26)27)39-17-16-34-12-5-6-13-34/h7-11,14-15,18-19H,3-6,12-13,16-17,20H2,1-2H3,(H,31,38).
What are the key properties of N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 526.65 g/mol, XLogP of 4.24, 10 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-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).