3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide

C18H20FN5O3 — CID 170616397

IUPAC3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCNC(=O)c1cn2c(-c3cc(F)nc(NCCCO)c3)cnc2cc1OC
InChIInChI=1S/C18H20FN5O3/c1-20-18(26)12-10-24-13(9-22-17(24)8-14(12)27-2)11-6-15(19)23-16(7-11)21-4-3-5-25/h6-10,25H,3-5H2,1-2H3,(H,20,26)(H,21,23)
InChIKeyGYQZSUXSAVHCKN-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.70
Rot. Bonds7

About 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide

3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 170616397) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID170616397
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCNC(=O)c1cn2c(-c3cc(F)nc(NCCCO)c3)cnc2cc1OC
InChIInChI=1S/C18H20FN5O3/c1-20-18(26)12-10-24-13(9-22-17(24)8-14(12)27-2)11-6-15(19)23-16(7-11)21-4-3-5-25/h6-10,25H,3-5H2,1-2H3,(H,20,26)(H,21,23)
InChIKeyGYQZSUXSAVHCKN-UHFFFAOYSA-N
XLogP1.70
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 170616397) is 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide is CNC(=O)c1cn2c(-c3cc(F)nc(NCCCO)c3)cnc2cc1OC.
What is the InChIKey of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GYQZSUXSAVHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-20-18(26)12-10-24-13(9-22-17(24)8-14(12)27-2)11-6-15(19)23-16(7-11)21-4-3-5-25/h6-10,25H,3-5H2,1-2H3,(H,20,26)(H,21,23).
What are the key properties of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 170616397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).