3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C27H41N5O4 — CID 58355573

IUPAC3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccn12
InChIInChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-23(8-5-7-13-35-3)31-10-6-4-9-24(31)29-25/h4,6,9-10,20-22,28H,5,7-8,11-19H2,1-3H3/t21-,22+/m1/s1
InChIKeySIEFDHTYPNIYLU-YADHBBJMSA-N
MW499.66 g/mol
LogP2.24
Rot. Bonds10

About 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 58355573) has the molecular formula C27H41N5O4 and a molecular weight of 499.66 g/mol. Its IUPAC name is 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID58355573
Molecular FormulaC27H41N5O4
Molecular Weight499.66 g/mol
Exact Mass499.32
IUPAC Name3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccn12
InChIInChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-23(8-5-7-13-35-3)31-10-6-4-9-24(31)29-25/h4,6,9-10,20-22,28H,5,7-8,11-19H2,1-3H3/t21-,22+/m1/s1
InChIKeySIEFDHTYPNIYLU-YADHBBJMSA-N
XLogP2.24
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 58355573) is 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccn12.
What is the InChIKey of 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SIEFDHTYPNIYLU-YADHBBJMSA-N. The full InChI is InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-23(8-5-7-13-35-3)31-10-6-4-9-24(31)29-25/h4,6,9-10,20-22,28H,5,7-8,11-19H2,1-3H3/t21-,22+/m1/s1.
What are the key properties of 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 499.66 g/mol, XLogP of 2.24, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 58355573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).