2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol

C21H23FN4O — CID 171085462

IUPAC2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nc3nc(C4CCCN(C)C4)ncc3cc2F)c(O)c1
InChIInChI=1S/C21H23FN4O/c1-12-7-13(2)18(17(27)8-12)19-16(22)9-15-10-23-20(25-21(15)24-19)14-5-4-6-26(3)11-14/h7-10,14,27H,4-6,11H2,1-3H3
InChIKeyULLZLDNLBCORGW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.96
Rot. Bonds2

About 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol

2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol (PubChem CID 171085462) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol
PubChem CID171085462
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nc3nc(C4CCCN(C)C4)ncc3cc2F)c(O)c1
InChIInChI=1S/C21H23FN4O/c1-12-7-13(2)18(17(27)8-12)19-16(22)9-15-10-23-20(25-21(15)24-19)14-5-4-6-26(3)11-14/h7-10,14,27H,4-6,11H2,1-3H3
InChIKeyULLZLDNLBCORGW-UHFFFAOYSA-N
XLogP3.96
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol with MolForge

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Related Compounds

2-(1,8-Naphthyridin-2-yl)phenol
CID 2761113
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-5-yl]-phenol
CID 44381545
3-[5-(4-Aminopiperidin-1-yl)-6-(3,5-difluorophenyl)-1,8-naphthyridin-3-yl]-2-hydroxybenzonitrile
CID 134180100
3-[5-(4-Aminopiperidin-1-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-2-hydroxybenzonitrile
CID 140837144
3-[5-(4-Aminopiperidin-1-yl)-6-(3-fluoro-5-methylphenyl)-1,8-naphthyridin-3-yl]-5-fluoro-2-hydroxybenzonitrile
CID 140837223
US11453683, Example 183
CID 156124926
US11453683, Example 449
CID 156124951
2-({3-[5-(2-Methylphenyl)-2-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}methyl)phenol
CID 45166660
3-[[3-[5-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]phenol
CID 45166119
US11453683, Example 184
CID 156124927
3-[4-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 76310247
3-[4-(4,4-Difluoropiperidin-1-yl)pyrido[3,2-d]pyrimidin-2-yl]phenol
CID 76335667

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol (CID 171085462) is 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2nc3nc(C4CCCN(C)C4)ncc3cc2F)c(O)c1.
What is the InChIKey of 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol?
The InChIKey is ULLZLDNLBCORGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-12-7-13(2)18(17(27)8-12)19-16(22)9-15-10-23-20(25-21(15)24-19)14-5-4-6-26(3)11-14/h7-10,14,27H,4-6,11H2,1-3H3.
What are the key properties of 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol?
2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol has a molecular weight of 366.44 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-(1-methylpiperidin-3-yl)pyrido[2,3-d]pyrimidin-7-yl]-3,5-dimethylphenol is sourced from PubChem (CID 171085462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).