N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine

C22H18ClN9O2 — CID 162428729

IUPACN-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3cnc(N4CCOCC4)nc23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C22H18ClN9O2/c23-16-9-14(1-2-18(16)34-15-3-4-32-19(10-15)26-13-28-32)29-21-20-17(25-12-27-21)11-24-22(30-20)31-5-7-33-8-6-31/h1-4,9-13H,5-8H2,(H,25,27,29)
InChIKeyQHESRQKELNTLBO-UHFFFAOYSA-N
MW475.90 g/mol
LogP3.49
Rot. Bonds5

About N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine

N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 162428729) has the molecular formula C22H18ClN9O2 and a molecular weight of 475.90 g/mol. Its IUPAC name is N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID162428729
Molecular FormulaC22H18ClN9O2
Molecular Weight475.90 g/mol
Exact Mass475.13
IUPAC NameN-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3cnc(N4CCOCC4)nc23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C22H18ClN9O2/c23-16-9-14(1-2-18(16)34-15-3-4-32-19(10-15)26-13-28-32)29-21-20-17(25-12-27-21)11-24-22(30-20)31-5-7-33-8-6-31/h1-4,9-13H,5-8H2,(H,25,27,29)
InChIKeyQHESRQKELNTLBO-UHFFFAOYSA-N
XLogP3.49
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine (CID 162428729) is N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3cnc(N4CCOCC4)nc23)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is QHESRQKELNTLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN9O2/c23-16-9-14(1-2-18(16)34-15-3-4-32-19(10-15)26-13-28-32)29-21-20-17(25-12-27-21)11-24-22(30-20)31-5-7-33-8-6-31/h1-4,9-13H,5-8H2,(H,25,27,29).
What are the key properties of N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine?
N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 475.90 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162428729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).