methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate

C23H27N5O4 — CID 90090458

IUPACmethyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOc1cccn2c(C(=O)N[C@H]3CCCN(c4ccc(C(=O)OC)cn4)C3)c(C)nc12
InChIInChI=1S/C23H27N5O4/c1-4-32-18-8-6-12-28-20(15(2)25-21(18)28)22(29)26-17-7-5-11-27(14-17)19-10-9-16(13-24-19)23(30)31-3/h6,8-10,12-13,17H,4-5,7,11,14H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyDIYBNZHWGCWIDH-KRWDZBQOSA-N
MW437.50 g/mol
LogP2.62
Rot. Bonds6

About methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate

methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 90090458) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID90090458
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Namemethyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOc1cccn2c(C(=O)N[C@H]3CCCN(c4ccc(C(=O)OC)cn4)C3)c(C)nc12
InChIInChI=1S/C23H27N5O4/c1-4-32-18-8-6-12-28-20(15(2)25-21(18)28)22(29)26-17-7-5-11-27(14-17)19-10-9-16(13-24-19)23(30)31-3/h6,8-10,12-13,17H,4-5,7,11,14H2,1-3H3,(H,26,29)/t17-/m0/s1
InChIKeyDIYBNZHWGCWIDH-KRWDZBQOSA-N
XLogP2.62
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate (CID 90090458) is methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate is CCOc1cccn2c(C(=O)N[C@H]3CCCN(c4ccc(C(=O)OC)cn4)C3)c(C)nc12.
What is the InChIKey of methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is DIYBNZHWGCWIDH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-4-32-18-8-6-12-28-20(15(2)25-21(18)28)22(29)26-17-7-5-11-27(14-17)19-10-9-16(13-24-19)23(30)31-3/h6,8-10,12-13,17H,4-5,7,11,14H2,1-3H3,(H,26,29)/t17-/m0/s1.
What are the key properties of methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 90090458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).