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

C28H32Cl2N8O — CID 67261449

IUPACN-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCCc1nn(Cc2cccc(CN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl
InChIInChI=1S/C28H30N8O.2ClH/c1-2-22-27-23(32-28(37)25-17-30-26-11-3-4-14-35(25)26)9-6-10-24(27)36(33-22)19-21-8-5-7-20(31-21)18-34-15-12-29-13-16-34;;/h3-11,14,17,29H,2,12-13,15-16,18-19H2,1H3,(H,32,37);2*1H
InChIKeyAMVLZAIORRMSCK-UHFFFAOYSA-N
MW567.53 g/mol
LogP4.19
Rot. Bonds7

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

N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (PubChem CID 67261449) has the molecular formula C28H32Cl2N8O and a molecular weight of 567.53 g/mol. Its IUPAC name is N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
PubChem CID67261449
Molecular FormulaC28H32Cl2N8O
Molecular Weight567.53 g/mol
Exact Mass566.21
IUPAC NameN-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCCc1nn(Cc2cccc(CN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl
InChIInChI=1S/C28H30N8O.2ClH/c1-2-22-27-23(32-28(37)25-17-30-26-11-3-4-14-35(25)26)9-6-10-24(27)36(33-22)19-21-8-5-7-20(31-21)18-34-15-12-29-13-16-34;;/h3-11,14,17,29H,2,12-13,15-16,18-19H2,1H3,(H,32,37);2*1H
InChIKeyAMVLZAIORRMSCK-UHFFFAOYSA-N
XLogP4.19
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.53
LogP ≤ 54.19
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-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (CID 67261449) is N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is CCc1nn(Cc2cccc(CN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl.
What is the InChIKey of N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is AMVLZAIORRMSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O.2ClH/c1-2-22-27-23(32-28(37)25-17-30-26-11-3-4-14-35(25)26)9-6-10-24(27)36(33-22)19-21-8-5-7-20(31-21)18-34-15-12-29-13-16-34;;/h3-11,14,17,29H,2,12-13,15-16,18-19H2,1H3,(H,32,37);2*1H.
What are the key properties of N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 567.53 g/mol, XLogP of 4.19, 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-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 67261449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).