4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane

C19H30F2N4O — CID 170726327

IUPAC4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane
SMILESCC.CC.COc1nc(C)cc2nc(C)nc(N3CCCC(F)(F)C3)c12
InChIInChI=1S/C15H18F2N4O.2C2H6/c1-9-7-11-12(14(18-9)22-3)13(20-10(2)19-11)21-6-4-5-15(16,17)8-21;2*1-2/h7H,4-6,8H2,1-3H3;2*1-2H3
InChIKeyYXHZUSFRPZPPEI-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.94
Rot. Bonds2

About 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane

4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane (PubChem CID 170726327) has the molecular formula C19H30F2N4O and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane
PubChem CID170726327
Molecular FormulaC19H30F2N4O
Molecular Weight368.47 g/mol
Exact Mass368.24
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane
SMILESCC.CC.COc1nc(C)cc2nc(C)nc(N3CCCC(F)(F)C3)c12
InChIInChI=1S/C15H18F2N4O.2C2H6/c1-9-7-11-12(14(18-9)22-3)13(20-10(2)19-11)21-6-4-5-15(16,17)8-21;2*1-2/h7H,4-6,8H2,1-3H3;2*1-2H3
InChIKeyYXHZUSFRPZPPEI-UHFFFAOYSA-N
XLogP4.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane with MolForge

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Related Compounds

(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
4-Quinazolinamine, N-[4-(difluoromethoxy)phenyl]-N,2-dimethyl-
CID 11197822
5-Amino-7-benzyl-2-methoxy-6,7,8,9-tetrahydropyrido[2,3-b][1,6]naphthyridine-3-carbonitrile
CID 53326509
US10196391, Example 112
CID 121455907
US10196391, Example 91
CID 121455911
US10196391, Example 26
CID 121455932
US10196391, Example 22
CID 121455936
US10196391, Example 90
CID 121455946
US10196391, Example 21
CID 121455949
US10196391, Example 95
CID 121455987
US10196391, Example 111
CID 121455999
US10196391, Example 17
CID 121456023

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane (CID 170726327) is 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane is CC.CC.COc1nc(C)cc2nc(C)nc(N3CCCC(F)(F)C3)c12.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane?
The InChIKey is YXHZUSFRPZPPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O.2C2H6/c1-9-7-11-12(14(18-9)22-3)13(20-10(2)19-11)21-6-4-5-15(16,17)8-21;2*1-2/h7H,4-6,8H2,1-3H3;2*1-2H3.
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane?
4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane has a molecular weight of 368.47 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-5-methoxy-2,7-dimethylpyrido[4,3-d]pyrimidine;ethane is sourced from PubChem (CID 170726327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).