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

C29H30N8O2 — CID 67259639

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CCNCC5)ccn34)c12
InChIInChI=1S/C29H30N8O2/c1-3-22-27-23(8-5-9-24(27)37(34-22)18-21-7-4-6-19(2)32-21)33-28(38)25-17-31-26-16-20(10-13-36(25)26)29(39)35-14-11-30-12-15-35/h4-10,13,16-17,30H,3,11-12,14-15,18H2,1-2H3,(H,33,38)
InChIKeyJCAJXAXPRGMXPH-UHFFFAOYSA-N
MW522.61 g/mol
LogP3.30
Rot. Bonds6

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259639) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259639
Molecular FormulaC29H30N8O2
Molecular Weight522.61 g/mol
Exact Mass522.25
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CCNCC5)ccn34)c12
InChIInChI=1S/C29H30N8O2/c1-3-22-27-23(8-5-9-24(27)37(34-22)18-21-7-4-6-19(2)32-21)33-28(38)25-17-31-26-16-20(10-13-36(25)26)29(39)35-14-11-30-12-15-35/h4-10,13,16-17,30H,3,11-12,14-15,18H2,1-2H3,(H,33,38)
InChIKeyJCAJXAXPRGMXPH-UHFFFAOYSA-N
XLogP3.30
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.61
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67259639) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)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-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CCNCC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JCAJXAXPRGMXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-3-22-27-23(8-5-9-24(27)37(34-22)18-21-7-4-6-19(2)32-21)33-28(38)25-17-31-26-16-20(10-13-36(25)26)29(39)35-14-11-30-12-15-35/h4-10,13,16-17,30H,3,11-12,14-15,18H2,1-2H3,(H,33,38).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-(piperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).