4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol

C32H39F2N5O2 — CID 167120199

IUPAC4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC(C)C5)nc(OCC(C)(C)CN(C)C)nc4c3F)c12
InChIInChI=1S/C32H39F2N5O2/c1-7-22-25(33)11-10-20-13-21(40)14-23(26(20)22)28-27(34)29-24(15-35-28)30(39-12-8-9-19(2)16-39)37-31(36-29)41-18-32(3,4)17-38(5)6/h10-11,13-15,19,40H,7-9,12,16-18H2,1-6H3
InChIKeyVCQAMWZWRMXIEP-UHFFFAOYSA-N
MW563.69 g/mol
LogP6.59
Rot. Bonds8

About 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol

4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol (PubChem CID 167120199) has the molecular formula C32H39F2N5O2 and a molecular weight of 563.69 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
PubChem CID167120199
Molecular FormulaC32H39F2N5O2
Molecular Weight563.69 g/mol
Exact Mass563.31
IUPAC Name4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
SMILESCCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC(C)C5)nc(OCC(C)(C)CN(C)C)nc4c3F)c12
InChIInChI=1S/C32H39F2N5O2/c1-7-22-25(33)11-10-20-13-21(40)14-23(26(20)22)28-27(34)29-24(15-35-28)30(39-12-8-9-19(2)16-39)37-31(36-29)41-18-32(3,4)17-38(5)6/h10-11,13-15,19,40H,7-9,12,16-18H2,1-6H3
InChIKeyVCQAMWZWRMXIEP-UHFFFAOYSA-N
XLogP6.59
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.69
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?
The IUPAC name of 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol (CID 167120199) is 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol.
What is the SMILES notation for 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?
The canonical SMILES for 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CCCC(C)C5)nc(OCC(C)(C)CN(C)C)nc4c3F)c12.
What is the InChIKey of 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?
The InChIKey is VCQAMWZWRMXIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F2N5O2/c1-7-22-25(33)11-10-20-13-21(40)14-23(26(20)22)28-27(34)29-24(15-35-28)30(39-12-8-9-19(2)16-39)37-31(36-29)41-18-32(3,4)17-38(5)6/h10-11,13-15,19,40H,7-9,12,16-18H2,1-6H3.
What are the key properties of 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol?
4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol has a molecular weight of 563.69 g/mol, XLogP of 6.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)-2,2-dimethylpropoxy]-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 167120199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).