4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine

C22H25ClN6O2 — CID 86716713

IUPAC4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCOc1cncc2nc(-c3ccnc(Cl)c3)nc(N3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C22H25ClN6O2/c1-30-18-14-24-13-17-20(18)22(27-21(26-17)15-2-5-25-19(23)12-15)29-6-3-16(4-7-29)28-8-10-31-11-9-28/h2,5,12-14,16H,3-4,6-11H2,1H3
InChIKeyJYBSDQCEROLOBQ-UHFFFAOYSA-N
MW440.94 g/mol
LogP3.05
Rot. Bonds4

About 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine

4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine (PubChem CID 86716713) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
PubChem CID86716713
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCOc1cncc2nc(-c3ccnc(Cl)c3)nc(N3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C22H25ClN6O2/c1-30-18-14-24-13-17-20(18)22(27-21(26-17)15-2-5-25-19(23)12-15)29-6-3-16(4-7-29)28-8-10-31-11-9-28/h2,5,12-14,16H,3-4,6-11H2,1H3
InChIKeyJYBSDQCEROLOBQ-UHFFFAOYSA-N
XLogP3.05
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-ylamino)-2-chloropyridin-3-yl)morpholine-4-sulfonamide
CID 59548437
4-[1-[6-(5-Methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155540693
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-pyridin-3-yloxypyrido[3,4-d]pyrimidin-6-amine
CID 141494018
(3S)-4-[7-(5-methoxy-3-pyridinyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703526
N2-(2-methoxy-6-morpholinopyridin-3-yl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386778
4-methoxy-2-((R)-3-methylmorpholin-4-yl)-8-(1H-pyrazol-3-yl)-[1,7]naphthyridine
CID 118890788
US10196391, Example 116
CID 121455943
US20230399327, Example 35
CID 167049785
4-N-(4-chlorophenyl)-8-methoxypyrido[3,4-d]pyrimidine-2,4-diamine
CID 54613576
4-[2-(3-Methoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 76317467
5-(Difluoromethoxy)-2-(pyridin-4-yl)-4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidine
CID 167233068
4-(2-(2,2-Difluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl)-5-methoxy-2-(pyridin-4-yl)pyrido[3,4-d]pyrimidine
CID 167233081

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine (CID 86716713) is 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine is COc1cncc2nc(-c3ccnc(Cl)c3)nc(N3CCC(N4CCOCC4)CC3)c12.
What is the InChIKey of 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is JYBSDQCEROLOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-30-18-14-24-13-17-20(18)22(27-21(26-17)15-2-5-25-19(23)12-15)29-6-3-16(4-7-29)28-8-10-31-11-9-28/h2,5,12-14,16H,3-4,6-11H2,1H3.
What are the key properties of 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine?
4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 440.94 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-chloro-4-pyridinyl)-5-methoxypyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 86716713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).