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

C19H22FN5O3 — CID 170616529

IUPAC3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2ncc(-c3cc(F)nc(NCCCO)c3)n2cc1C(=O)N(C)C
InChIInChI=1S/C19H22FN5O3/c1-24(2)19(27)13-11-25-14(10-22-18(25)9-15(13)28-3)12-7-16(20)23-17(8-12)21-5-4-6-26/h7-11,26H,4-6H2,1-3H3,(H,21,23)
InChIKeyPZSZARDHAIZGDK-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.04
Rot. Bonds7

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

3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 170616529) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID170616529
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCOc1cc2ncc(-c3cc(F)nc(NCCCO)c3)n2cc1C(=O)N(C)C
InChIInChI=1S/C19H22FN5O3/c1-24(2)19(27)13-11-25-14(10-22-18(25)9-15(13)28-3)12-7-16(20)23-17(8-12)21-5-4-6-26/h7-11,26H,4-6H2,1-3H3,(H,21,23)
InChIKeyPZSZARDHAIZGDK-UHFFFAOYSA-N
XLogP2.04
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
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,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide (CID 170616529) is 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide is COc1cc2ncc(-c3cc(F)nc(NCCCO)c3)n2cc1C(=O)N(C)C.
What is the InChIKey of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is PZSZARDHAIZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-24(2)19(27)13-11-25-14(10-22-18(25)9-15(13)28-3)12-7-16(20)23-17(8-12)21-5-4-6-26/h7-11,26H,4-6H2,1-3H3,(H,21,23).
What are the key properties of 3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide?
3-[2-fluoro-6-(3-hydroxypropylamino)-4-pyridinyl]-7-methoxy-N,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 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,N-dimethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 170616529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).