2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide

C20H18N6O — CID 10247814

IUPAC2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/[H])cc(C)c4n3)o2)cc1
InChIInChI=1S/C20H18N6O/c1-11-8-14(19(23)24)9-26-10-15(25-20(11)26)17-7-6-16(27-17)12-2-4-13(5-3-12)18(21)22/h2-10H,1H3,(H3,21,22)(H3,23,24)
InChIKeyBPRKMPXUHWFKSO-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.14
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide

2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide (PubChem CID 10247814) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
PubChem CID10247814
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/[H])cc(C)c4n3)o2)cc1
InChIInChI=1S/C20H18N6O/c1-11-8-14(19(23)24)9-26-10-15(25-20(11)26)17-7-6-16(27-17)12-2-4-13(5-3-12)18(21)22/h2-10H,1H3,(H3,21,22)(H3,23,24)
InChIKeyBPRKMPXUHWFKSO-UHFFFAOYSA-N
XLogP3.14
TPSA130.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.14
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

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
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-diethyl-benzamide
CID 44403132
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]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide (CID 10247814) is 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cn4cc(/C(N)=N/[H])cc(C)c4n3)o2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide?
The InChIKey is BPRKMPXUHWFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-11-8-14(19(23)24)9-26-10-15(25-20(11)26)17-7-6-16(27-17)12-2-4-13(5-3-12)18(21)22/h2-10H,1H3,(H3,21,22)(H3,23,24).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide?
2-[5-(4-carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide has a molecular weight of 358.41 g/mol, XLogP of 3.14, 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]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide is sourced from PubChem (CID 10247814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).