2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one

C20H22N4O — CID 5330233

IUPAC2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCCC1
InChIInChI=1S/C20H22N4O/c25-18-13-12-15-14-21-20(22-16-8-4-3-5-9-16)23-19(15)24(18)17-10-6-1-2-7-11-17/h3-5,8-9,12-14,17H,1-2,6-7,10-11H2,(H,21,22,23)
InChIKeyRTUNPZNLBHLEDM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.43
Rot. Bonds3

About 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330233) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330233
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCCC1
InChIInChI=1S/C20H22N4O/c25-18-13-12-15-14-21-20(22-16-8-4-3-5-9-16)23-19(15)24(18)17-10-6-1-2-7-11-17/h3-5,8-9,12-14,17H,1-2,6-7,10-11H2,(H,21,22,23)
InChIKeyRTUNPZNLBHLEDM-UHFFFAOYSA-N
XLogP4.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one (CID 5330233) is 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCCC1.
What is the InChIKey of 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RTUNPZNLBHLEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-18-13-12-15-14-21-20(22-16-8-4-3-5-9-16)23-19(15)24(18)17-10-6-1-2-7-11-17/h3-5,8-9,12-14,17H,1-2,6-7,10-11H2,(H,21,22,23).
What are the key properties of 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 334.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-cycloheptylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).