[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C23H23N7O4 — CID 11271163

IUPAC[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1OC
InChIInChI=1S/C23H23N7O4/c1-32-16-6-5-14(12-18(16)33-2)15-13-25-20-19(26-15)21(28-23(24)27-20)29-7-9-30(10-8-29)22(31)17-4-3-11-34-17/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,27,28)
InChIKeyYDRHXAMTRYNITQ-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.24
Rot. Bonds5

About [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 11271163) has the molecular formula C23H23N7O4 and a molecular weight of 461.48 g/mol. Its IUPAC name is [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID11271163
Molecular FormulaC23H23N7O4
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOc1ccc(-c2cnc3nc(N)nc(N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1OC
InChIInChI=1S/C23H23N7O4/c1-32-16-6-5-14(12-18(16)33-2)15-13-25-20-19(26-15)21(28-23(24)27-20)29-7-9-30(10-8-29)22(31)17-4-3-11-34-17/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,27,28)
InChIKeyYDRHXAMTRYNITQ-UHFFFAOYSA-N
XLogP2.24
TPSA132.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 11271163) is [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is COc1ccc(-c2cnc3nc(N)nc(N4CCN(C(=O)c5ccco5)CC4)c3n2)cc1OC.
What is the InChIKey of [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is YDRHXAMTRYNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4/c1-32-16-6-5-14(12-18(16)33-2)15-13-25-20-19(26-15)21(28-23(24)27-20)29-7-9-30(10-8-29)22(31)17-4-3-11-34-17/h3-6,11-13H,7-10H2,1-2H3,(H2,24,25,27,28).
What are the key properties of [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 461.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 11271163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).