8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid

C21H31N3O5 — CID 90115741

IUPAC8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
SMILESCCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H](C)CO.O=CO
InChIInChI=1S/C20H29N3O3.CH2O2/c1-3-16-18(20(25)21-14(2)12-24)23-11-7-10-17(19(23)22-16)26-13-15-8-5-4-6-9-15;2-1-3/h7,10-11,14-15,24H,3-6,8-9,12-13H2,1-2H3,(H,21,25);1H,(H,2,3)/t14-;/m1./s1
InChIKeyCLOBSYGJAOERAW-PFEQFJNWSA-N
MW405.50 g/mol
LogP2.67
Rot. Bonds7

About 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid

8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid (PubChem CID 90115741) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid.

Molecular Properties

Compound Name8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
PubChem CID90115741
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
SMILESCCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H](C)CO.O=CO
InChIInChI=1S/C20H29N3O3.CH2O2/c1-3-16-18(20(25)21-14(2)12-24)23-11-7-10-17(19(23)22-16)26-13-15-8-5-4-6-9-15;2-1-3/h7,10-11,14-15,24H,3-6,8-9,12-13H2,1-2H3,(H,21,25);1H,(H,2,3)/t14-;/m1./s1
InChIKeyCLOBSYGJAOERAW-PFEQFJNWSA-N
XLogP2.67
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
The IUPAC name of 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid (CID 90115741) is 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid.
What is the SMILES notation for 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
The canonical SMILES for 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid is CCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H](C)CO.O=CO.
What is the InChIKey of 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
The InChIKey is CLOBSYGJAOERAW-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H29N3O3.CH2O2/c1-3-16-18(20(25)21-14(2)12-24)23-11-7-10-17(19(23)22-16)26-13-15-8-5-4-6-9-15;2-1-3/h7,10-11,14-15,24H,3-6,8-9,12-13H2,1-2H3,(H,21,25);1H,(H,2,3)/t14-;/m1./s1.
What are the key properties of 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid has a molecular weight of 405.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethoxy)-2-ethyl-N-[(2R)-1-hydroxypropan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid is sourced from PubChem (CID 90115741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).