N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine

C23H21ClN6O — CID 166538757

IUPACN-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3ccc([C@@H]4CCCNC4)nc23)cnc1Oc1ccccc1
InChIInChI=1S/C23H21ClN6O/c24-18-11-16(13-26-23(18)31-17-6-2-1-3-7-17)29-22-21-20(27-14-28-22)9-8-19(30-21)15-5-4-10-25-12-15/h1-3,6-9,11,13-15,25H,4-5,10,12H2,(H,27,28,29)/t15-/m1/s1
InChIKeyYLJXHIHOPJEDBE-OAHLLOKOSA-N
MW432.92 g/mol
LogP5.08
Rot. Bonds5

About N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine

N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166538757) has the molecular formula C23H21ClN6O and a molecular weight of 432.92 g/mol. Its IUPAC name is N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166538757
Molecular FormulaC23H21ClN6O
Molecular Weight432.92 g/mol
Exact Mass432.15
IUPAC NameN-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESClc1cc(Nc2ncnc3ccc([C@@H]4CCCNC4)nc23)cnc1Oc1ccccc1
InChIInChI=1S/C23H21ClN6O/c24-18-11-16(13-26-23(18)31-17-6-2-1-3-7-17)29-22-21-20(27-14-28-22)9-8-19(30-21)15-5-4-10-25-12-15/h1-3,6-9,11,13-15,25H,4-5,10,12H2,(H,27,28,29)/t15-/m1/s1
InChIKeyYLJXHIHOPJEDBE-OAHLLOKOSA-N
XLogP5.08
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.92
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3,4-dichloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 166540129
tert-butyl 4-[4-[(5-chloro-6-phenoxy-3-pyridinyl)amino]pyrido[3,2-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 166538623
N-(3-chloro-2-fluorophenyl)-6-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 166539481
2-piperidin-3-yl-6-pyridin-3-yloxypyridine
CID 110082260
N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 166538822
N-(3-methyl-4-phenoxyphenyl)-6-[2-[(3S)-piperidin-3-yl]ethynyl]quinazolin-4-amine
CID 22985695
N-(3-chloro-2-fluorophenyl)-6-[(3S)-piperidin-3-yl]quinazolin-4-amine
CID 166540141
2-ethynyl-N-(3-methyl-4-phenoxyphenyl)-6-piperidin-3-ylquinazolin-4-amine
CID 151035556
6-fluoro-4-piperidin-3-ylquinazoline
CID 105489378
7-methoxy-N-(3-methoxy-4-phenoxyphenyl)-6-(2-piperidin-3-ylethynyl)quinazolin-4-amine
CID 70034685
4-N-(3-bromophenyl)-6-N-piperidin-3-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54440990
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 166538757) is N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine is Clc1cc(Nc2ncnc3ccc([C@@H]4CCCNC4)nc23)cnc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is YLJXHIHOPJEDBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21ClN6O/c24-18-11-16(13-26-23(18)31-17-6-2-1-3-7-17)29-22-21-20(27-14-28-22)9-8-19(30-21)15-5-4-10-25-12-15/h1-3,6-9,11,13-15,25H,4-5,10,12H2,(H,27,28,29)/t15-/m1/s1.
What are the key properties of N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine?
N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 432.92 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-phenoxy-3-pyridinyl)-6-[(3R)-piperidin-3-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166538757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).