3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide

C24H25FN6O3 — CID 146370761

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(F)cnc3OC)c2)c1
InChIInChI=1S/C24H25FN6O3/c1-33-20-3-4-26-19(11-20)14-29-22(32)17-8-15(12-31-24-27-5-6-28-24)7-16(9-17)21-10-18(25)13-30-23(21)34-2/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,29,32)(H2,27,28,31)
InChIKeyQHZBQAIIJUWKAB-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.28
Rot. Bonds8

About 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (PubChem CID 146370761) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
PubChem CID146370761
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
SMILESCOc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(F)cnc3OC)c2)c1
InChIInChI=1S/C24H25FN6O3/c1-33-20-3-4-26-19(11-20)14-29-22(32)17-8-15(12-31-24-27-5-6-28-24)7-16(9-17)21-10-18(25)13-30-23(21)34-2/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,29,32)(H2,27,28,31)
InChIKeyQHZBQAIIJUWKAB-UHFFFAOYSA-N
XLogP2.28
TPSA109.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide (CID 146370761) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is COc1ccnc(CNC(=O)c2cc(CNC3=NCCN3)cc(-c3cc(F)cnc3OC)c2)c1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
The InChIKey is QHZBQAIIJUWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-33-20-3-4-26-19(11-20)14-29-22(32)17-8-15(12-31-24-27-5-6-28-24)7-16(9-17)21-10-18(25)13-30-23(21)34-2/h3-4,7-11,13H,5-6,12,14H2,1-2H3,(H,29,32)(H2,27,28,31).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide has a molecular weight of 464.50 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(5-fluoro-2-methoxy-3-pyridinyl)-N-[(4-methoxy-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 146370761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).