2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine

C20H20ClFN4O2 — CID 161341475

IUPAC2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(Cl)nc(N3CCC[C@@H](COc4ccccc4F)C3)c12
InChIInChI=1S/C20H20ClFN4O2/c1-27-17-10-23-9-15-18(17)19(25-20(21)24-15)26-8-4-5-13(11-26)12-28-16-7-3-2-6-14(16)22/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-/m1/s1
InChIKeyPNSVBVBSBFLHRZ-CYBMUJFWSA-N
MW402.86 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine

2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine (PubChem CID 161341475) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine
PubChem CID161341475
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine
SMILESCOc1cncc2nc(Cl)nc(N3CCC[C@@H](COc4ccccc4F)C3)c12
InChIInChI=1S/C20H20ClFN4O2/c1-27-17-10-23-9-15-18(17)19(25-20(21)24-15)26-8-4-5-13(11-26)12-28-16-7-3-2-6-14(16)22/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-/m1/s1
InChIKeyPNSVBVBSBFLHRZ-CYBMUJFWSA-N
XLogP4.12
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
2-chloro-N-(3-fluoro-4-methoxyphenyl)-N-methylpyrido[3,2-d]pyrimidin-4-amine
CID 164611321
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 2999577
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine (CID 161341475) is 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine is COc1cncc2nc(Cl)nc(N3CCC[C@@H](COc4ccccc4F)C3)c12.
What is the InChIKey of 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine?
The InChIKey is PNSVBVBSBFLHRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-27-17-10-23-9-15-18(17)19(25-20(21)24-15)26-8-4-5-13(11-26)12-28-16-7-3-2-6-14(16)22/h2-3,6-7,9-10,13H,4-5,8,11-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine?
2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine has a molecular weight of 402.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine is sourced from PubChem (CID 161341475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).