1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

C24H27F2N5O2 — CID 59855848

IUPAC1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2c(CNCC34CCCN3CCC4)cn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C24H27F2N5O2/c25-18-4-3-16(20(26)9-18)13-30-14-17(19-10-21(23(32)29-33)28-12-22(19)30)11-27-15-24-5-1-7-31(24)8-2-6-24/h3-4,9-10,12,14,27,33H,1-2,5-8,11,13,15H2,(H,29,32)
InChIKeyMZRZTDYLSZNPRB-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.20
Rot. Bonds7

About 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 59855848) has the molecular formula C24H27F2N5O2 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID59855848
Molecular FormulaC24H27F2N5O2
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESO=C(NO)c1cc2c(CNCC34CCCN3CCC4)cn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C24H27F2N5O2/c25-18-4-3-16(20(26)9-18)13-30-14-17(19-10-21(23(32)29-33)28-12-22(19)30)11-27-15-24-5-1-7-31(24)8-2-6-24/h3-4,9-10,12,14,27,33H,1-2,5-8,11,13,15H2,(H,29,32)
InChIKeyMZRZTDYLSZNPRB-UHFFFAOYSA-N
XLogP3.20
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 59855848) is 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is O=C(NO)c1cc2c(CNCC34CCCN3CCC4)cn(Cc3ccc(F)cc3F)c2cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is MZRZTDYLSZNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O2/c25-18-4-3-16(20(26)9-18)13-30-14-17(19-10-21(23(32)29-33)28-12-22(19)30)11-27-15-24-5-1-7-31(24)8-2-6-24/h3-4,9-10,12,14,27,33H,1-2,5-8,11,13,15H2,(H,29,32).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-[(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 59855848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).