2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide

C26H23N9O2 — CID 150274121

IUPAC2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide
SMILESCc1ccc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(-c4ccco4)nc32)nc1
InChIInChI=1S/C26H23N9O2/c1-16-10-11-18(28-13-16)14-29-24(36)26(2,17-7-4-3-5-8-17)35-23-19(15-30-35)22-31-21(20-9-6-12-37-20)33-34(22)25(27)32-23/h3-13,15H,14H2,1-2H3,(H2,27,32)(H,29,36)
InChIKeyGEEOMKCAEXOIDM-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.10
Rot. Bonds6

About 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide

2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide (PubChem CID 150274121) has the molecular formula C26H23N9O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide
PubChem CID150274121
Molecular FormulaC26H23N9O2
Molecular Weight493.53 g/mol
Exact Mass493.20
IUPAC Name2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide
SMILESCc1ccc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(-c4ccco4)nc32)nc1
InChIInChI=1S/C26H23N9O2/c1-16-10-11-18(28-13-16)14-29-24(36)26(2,17-7-4-3-5-8-17)35-23-19(15-30-35)22-31-21(20-9-6-12-37-20)33-34(22)25(27)32-23/h3-13,15H,14H2,1-2H3,(H2,27,32)(H,29,36)
InChIKeyGEEOMKCAEXOIDM-UHFFFAOYSA-N
XLogP3.10
TPSA142.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide (CID 150274121) is 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide is Cc1ccc(CNC(=O)C(C)(c2ccccc2)n2ncc3c2nc(N)n2nc(-c4ccco4)nc32)nc1.
What is the InChIKey of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide?
The InChIKey is GEEOMKCAEXOIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N9O2/c1-16-10-11-18(28-13-16)14-29-24(36)26(2,17-7-4-3-5-8-17)35-23-19(15-30-35)22-31-21(20-9-6-12-37-20)33-34(22)25(27)32-23/h3-13,15H,14H2,1-2H3,(H2,27,32)(H,29,36).
What are the key properties of 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide?
2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide has a molecular weight of 493.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]-N-[(5-methyl-2-pyridinyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 150274121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).