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

C13H14ClFN4O2 — CID 164535261

IUPAC1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCOc1nc(N2CCCC(O)C2)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C13H14ClFN4O2/c1-21-13-17-10-8(5-16-11(14)9(10)15)12(18-13)19-4-2-3-7(20)6-19/h5,7,20H,2-4,6H2,1H3
InChIKeyQOVVPDLGAPQAJW-UHFFFAOYSA-N
MW312.73 g/mol
LogP1.79
Rot. Bonds2

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

1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 164535261) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID164535261
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Name1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCOc1nc(N2CCCC(O)C2)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C13H14ClFN4O2/c1-21-13-17-10-8(5-16-11(14)9(10)15)12(18-13)19-4-2-3-7(20)6-19/h5,7,20H,2-4,6H2,1H3
InChIKeyQOVVPDLGAPQAJW-UHFFFAOYSA-N
XLogP1.79
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-8-fluoro-2-methoxy-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine
CID 164535217
(3S)-1-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-ol
CID 171783300
6-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-one
CID 167468683
1-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]azepan-3-ol
CID 167120011
[(3S)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 171783328
4-[8-fluoro-2-methoxy-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157405
6-[7-chloro-8-fluoro-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-6-azaspiro[3.5]nonan-2-ol
CID 171613320
2,7-dichloro-8-fluoro-4-(3-prop-2-enylpiperidin-1-yl)pyrido[4,3-d]pyrimidine
CID 170957455
(3R)-1-(2,7-dichloro-8-fluoro-5-methylpyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 170554128
tert-butyl 2-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-6-hydroxydiazepane-1-carboxylate
CID 176727668
7-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(1-ethylcyclopropyl)methoxy]-8-fluoropyrido[4,3-d]pyrimidine;ethane
CID 169229135
tert-butyl N-[[1-[7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]carbamate
CID 166157576

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol (CID 164535261) is 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is COc1nc(N2CCCC(O)C2)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is QOVVPDLGAPQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-21-13-17-10-8(5-16-11(14)9(10)15)12(18-13)19-4-2-3-7(20)6-19/h5,7,20H,2-4,6H2,1H3.
What are the key properties of 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol?
1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 312.73 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 164535261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).