1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol

C14H16ClFN4O — CID 164534563

IUPAC1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCc1nc(N2CCCC(C)(O)C2)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C14H16ClFN4O/c1-8-18-11-9(6-17-12(15)10(11)16)13(19-8)20-5-3-4-14(2,21)7-20/h6,21H,3-5,7H2,1-2H3
InChIKeyRDYSGZSQVBMIHA-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.48
Rot. Bonds1

About 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol

1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 164534563) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID164534563
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCc1nc(N2CCCC(C)(O)C2)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C14H16ClFN4O/c1-8-18-11-9(6-17-12(15)10(11)16)13(19-8)20-5-3-4-14(2,21)7-20/h6,21H,3-5,7H2,1-2H3
InChIKeyRDYSGZSQVBMIHA-UHFFFAOYSA-N
XLogP2.48
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidine
CID 135394745
tert-butyl (2S)-4-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate
CID 154643833
2,7-Dichloro-8-fluoro-4-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidine
CID 154643976
Tert-butyl 4-(7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-2-cyanopiperazine-1-carboxylate
CID 154644043
Tert-butyl 4-(7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate
CID 154644066
Acetonitrile;tert-butyl 4-[7-chloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 154644124
Tert-butyl (2S)-2-(cyanomethyl)-4-(2,7-dichloro-8-fluoro-pyrido[4,3-D]pyrimidin-4-YL)piperazine-1-carboxylate
CID 154644142
tert-butyl (2S,6S)-4-(7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 154644154
Tert-butyl 4-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 154644162
tert-butyl (3S)-4-(7-chloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
CID 154644266
7-Chloro-8-fluoro-4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 154644309
4,7-Dichloro-8-fluoro-2-methylpyrido[4,3-D]pyrimidine
CID 154644407

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 164534563) is 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is Cc1nc(N2CCCC(C)(O)C2)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is RDYSGZSQVBMIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-8-18-11-9(6-17-12(15)10(11)16)13(19-8)20-5-3-4-14(2,21)7-20/h6,21H,3-5,7H2,1-2H3.
What are the key properties of 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 310.76 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 164534563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).