N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide

C25H28N6O — CID 163239137

IUPACN-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cnc2ccccc2n1
InChIInChI=1S/C25H28N6O/c32-25(23-15-27-21-8-4-5-9-22(21)30-23)28-14-20-17-31-16-19(10-11-24(31)29-20)13-26-12-18-6-2-1-3-7-18/h4-5,8-11,15-18,26H,1-3,6-7,12-14H2,(H,28,32)
InChIKeyOCKUXESZAFWNHK-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.88
Rot. Bonds7

About N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide

N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide (PubChem CID 163239137) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide
PubChem CID163239137
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC NameN-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide
SMILESO=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cnc2ccccc2n1
InChIInChI=1S/C25H28N6O/c32-25(23-15-27-21-8-4-5-9-22(21)30-23)28-14-20-17-31-16-19(10-11-24(31)29-20)13-26-12-18-6-2-1-3-7-18/h4-5,8-11,15-18,26H,1-3,6-7,12-14H2,(H,28,32)
InChIKeyOCKUXESZAFWNHK-UHFFFAOYSA-N
XLogP3.88
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide (CID 163239137) is N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide is O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cnc2ccccc2n1.
What is the InChIKey of N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide?
The InChIKey is OCKUXESZAFWNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c32-25(23-15-27-21-8-4-5-9-22(21)30-23)28-14-20-17-31-16-19(10-11-24(31)29-20)13-26-12-18-6-2-1-3-7-18/h4-5,8-11,15-18,26H,1-3,6-7,12-14H2,(H,28,32).
What are the key properties of N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide?
N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 163239137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).