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

C29H32N8O — CID 67260131

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CN5CCNCC5)ccn34)c12
InChIInChI=1S/C29H32N8O/c1-3-23-28-24(8-5-9-25(28)37(34-23)19-22-7-4-6-20(2)32-22)33-29(38)26-17-31-27-16-21(10-13-36(26)27)18-35-14-11-30-12-15-35/h4-10,13,16-17,30H,3,11-12,14-15,18-19H2,1-2H3,(H,33,38)
InChIKeySQSFILYXDVLRJJ-UHFFFAOYSA-N
MW508.63 g/mol
LogP3.66
Rot. Bonds7

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260131) has the molecular formula C29H32N8O and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260131
Molecular FormulaC29H32N8O
Molecular Weight508.63 g/mol
Exact Mass508.27
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CN5CCNCC5)ccn34)c12
InChIInChI=1S/C29H32N8O/c1-3-23-28-24(8-5-9-25(28)37(34-23)19-22-7-4-6-20(2)32-22)33-29(38)26-17-31-27-16-21(10-13-36(26)27)18-35-14-11-30-12-15-35/h4-10,13,16-17,30H,3,11-12,14-15,18-19H2,1-2H3,(H,33,38)
InChIKeySQSFILYXDVLRJJ-UHFFFAOYSA-N
XLogP3.66
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.66
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-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67260131) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)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-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CN5CCNCC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SQSFILYXDVLRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O/c1-3-23-28-24(8-5-9-25(28)37(34-23)19-22-7-4-6-20(2)32-22)33-29(38)26-17-31-27-16-21(10-13-36(26)27)18-35-14-11-30-12-15-35/h4-10,13,16-17,30H,3,11-12,14-15,18-19H2,1-2H3,(H,33,38).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 3.66, 7 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-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).