8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one

C26H35N5O2 — CID 5330246

IUPAC8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)cc1
InChIInChI=1S/C26H35N5O2/c1-3-30(4-2)17-18-33-23-14-12-21(13-15-23)28-26-27-19-20-11-16-24(32)31(25(20)29-26)22-9-7-5-6-8-10-22/h11-16,19,22H,3-10,17-18H2,1-2H3,(H,27,28,29)
InChIKeyDIFKCOBOSFUEIW-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.15
Rot. Bonds9

About 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one

8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330246) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330246
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)cc1
InChIInChI=1S/C26H35N5O2/c1-3-30(4-2)17-18-33-23-14-12-21(13-15-23)28-26-27-19-20-11-16-24(32)31(25(20)29-26)22-9-7-5-6-8-10-22/h11-16,19,22H,3-10,17-18H2,1-2H3,(H,27,28,29)
InChIKeyDIFKCOBOSFUEIW-UHFFFAOYSA-N
XLogP5.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 59174488
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CID 11406590
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CID 54580957
CID 54580957
CID 5311382
CID 5311382
CID 5330244
CID 5330244
CID 5327909
CID 5327909
CID 5328641
CID 5328641
CID 5328642
CID 5328642
CID 5328650
CID 5328650
CID 5330209
CID 5330209
CID 5330211
CID 5330211
CID 5330212
CID 5330212

Frequently Asked Questions

What is the IUPAC name of 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330246) is 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)cc1.
What is the InChIKey of 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DIFKCOBOSFUEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-3-30(4-2)17-18-33-23-14-12-21(13-15-23)28-26-27-19-20-11-16-24(32)31(25(20)29-26)22-9-7-5-6-8-10-22/h11-16,19,22H,3-10,17-18H2,1-2H3,(H,27,28,29).
What are the key properties of 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 449.60 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloheptyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).