(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide

C24H30N8O — CID 175621974

About (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide

(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide (PubChem CID 175621974) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide
• PubChem CID: 175621974
• Molecular Formula: C24H30N8O
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.25
• IUPAC Name: (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide
• SMILES: [H]/N=C(\N)c1cc(C)c(CNC(=O)/C(N)=C/N(N)Cc2cn3cc(C4CC4)ccc3n2)c(C)c1
• InChI: InChI=1S/C24H30N8O/c1-14-7-18(23(26)27)8-15(2)20(14)9-29-24(33)21(25)13-32(28)12-19-11-31-10-17(16-3-4-16)5-6-22(31)30-19/h5-8,10-11,13,16H,3-4,9,12,25,28H2,1-2H3,(H3,26,27)(H,29,33)/b21-13-
• InChIKey: ASEYINLGPROOBB-BKUYFWCQSA-N
• XLogP: 1.90
• TPSA: 151.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide?

The IUPAC name of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide (CID 175621974) is (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide.

What is the SMILES notation for (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide?

The canonical SMILES for (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide is [H]/N=C(\N)c1cc(C)c(CNC(=O)/C(N)=C/N(N)Cc2cn3cc(C4CC4)ccc3n2)c(C)c1.

What is the InChIKey of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide?

The InChIKey is ASEYINLGPROOBB-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H30N8O/c1-14-7-18(23(26)27)8-15(2)20(14)9-29-24(33)21(25)13-32(28)12-19-11-31-10-17(16-3-4-16)5-6-22(31)30-19/h5-8,10-11,13,16H,3-4,9,12,25,28H2,1-2H3,(H3,26,27)(H,29,33)/b21-13-.

What are the key properties of (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide?

(Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide has a molecular weight of 446.56 g/mol, XLogP of 1.90, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-amino-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-N-[(4-carbamimidoyl-2,6-dimethylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 175621974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).