N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H18ClN5O2 — CID 2357347

IUPACN-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H18ClN5O2/c1-15-22(29-13-5-4-8-20(29)26-15)23(31)28-27-21-18-6-2-3-7-19(18)30(24(21)32)14-16-9-11-17(25)12-10-16/h2-13,32H,14H2,1H3/b28-27+
InChIKeyFBQVIOXLHDMUAT-BYYHNAKLSA-N
MW443.89 g/mol
LogP5.93
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 2357347) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID2357347
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H18ClN5O2/c1-15-22(29-13-5-4-8-20(29)26-15)23(31)28-27-21-18-6-2-3-7-19(18)30(24(21)32)14-16-9-11-17(25)12-10-16/h2-13,32H,14H2,1H3/b28-27+
InChIKeyFBQVIOXLHDMUAT-BYYHNAKLSA-N
XLogP5.93
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 2357347) is N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)/N=N/c1c(O)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FBQVIOXLHDMUAT-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-15-22(29-13-5-4-8-20(29)26-15)23(31)28-27-21-18-6-2-3-7-19(18)30(24(21)32)14-16-9-11-17(25)12-10-16/h2-13,32H,14H2,1H3/b28-27+.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 2357347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).