2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide

C19H16N6O — CID 11371348

IUPAC2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/[H])ccc4n3)o2)cc1
InChIInChI=1S/C19H16N6O/c20-18(21)12-3-1-11(2-4-12)15-6-7-16(26-15)14-10-25-9-13(19(22)23)5-8-17(25)24-14/h1-10H,(H3,20,21)(H3,22,23)
InChIKeySPCAOBGQKXEQHK-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.83
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide

2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide (PubChem CID 11371348) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
PubChem CID11371348
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/[H])ccc4n3)o2)cc1
InChIInChI=1S/C19H16N6O/c20-18(21)12-3-1-11(2-4-12)15-6-7-16(26-15)14-10-25-9-13(19(22)23)5-8-17(25)24-14/h1-10H,(H3,20,21)(H3,22,23)
InChIKeySPCAOBGQKXEQHK-UHFFFAOYSA-N
XLogP2.83
TPSA130.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
4-(furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 21976428
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
6-(2-Furyl)-9-(3-nitrobenzyl)-9H-purine-2-amine
CID 44449695
6-(Furan-2-yl)-9-[(4-nitrophenyl)methyl]purin-2-amine
CID 44449696
Roscovitine derivative 1
CID 73353575
2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carboxamide
CID 9949541
2-amino-6-(furan-2-yl)-N-[(4-methylphenyl)methyl]purine-9-carboxamide
CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide (CID 11371348) is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/[H])ccc4n3)o2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide?
The InChIKey is SPCAOBGQKXEQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-18(21)12-3-1-11(2-4-12)15-6-7-16(26-15)14-10-25-9-13(19(22)23)5-8-17(25)24-14/h1-10H,(H3,20,21)(H3,22,23).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide?
2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide has a molecular weight of 344.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]imidazo[1,2-a]pyridine-6-carboximidamide is sourced from PubChem (CID 11371348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).