3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane

C24H33ClN5OP — CID 144887695

IUPAC3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane
SMILESCC.Cc1c(P)ccc(Cl)c1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N
InChIInChI=1S/C22H27ClN5OP.C2H6/c1-13-20(30)4-3-18(23)21(13)14(2)29-19-9-15(10-26-22(19)24)16-11-27-28(12-16)17-5-7-25-8-6-17;1-2/h3-4,9-12,14,17,25H,5-8,30H2,1-2H3,(H2,24,26);1-2H3
InChIKeyGPNGDTAKBXUDEM-UHFFFAOYSA-N
MW473.99 g/mol
LogP5.08
Rot. Bonds5

About 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane

3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane (PubChem CID 144887695) has the molecular formula C24H33ClN5OP and a molecular weight of 473.99 g/mol. Its IUPAC name is 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane.

Molecular Properties

Compound Name3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane
PubChem CID144887695
Molecular FormulaC24H33ClN5OP
Molecular Weight473.99 g/mol
Exact Mass473.21
IUPAC Name3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane
SMILESCC.Cc1c(P)ccc(Cl)c1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N
InChIInChI=1S/C22H27ClN5OP.C2H6/c1-13-20(30)4-3-18(23)21(13)14(2)29-19-9-15(10-26-22(19)24)16-11-27-28(12-16)17-5-7-25-8-6-17;1-2/h3-4,9-12,14,17,25H,5-8,30H2,1-2H3,(H2,24,26);1-2H3
InChIKeyGPNGDTAKBXUDEM-UHFFFAOYSA-N
XLogP5.08
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-fluoro-2,6-dimethylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72679528
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158674687
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 146185142
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;ethane
CID 143190162
[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 86269799
3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[(1S)-1,2,2,2-tetradeuterio-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 72704813
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;ethane;propane
CID 155591061
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(3-fluoropiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 78160907
5-[1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 71722447
5-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 78160487
5-[1-(5-azaspiro[3.5]nonan-8-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 78168616

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane?
The IUPAC name of 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane (CID 144887695) is 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane.
What is the SMILES notation for 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane?
The canonical SMILES for 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane is CC.Cc1c(P)ccc(Cl)c1C(C)Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N.
What is the InChIKey of 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane?
The InChIKey is GPNGDTAKBXUDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN5OP.C2H6/c1-13-20(30)4-3-18(23)21(13)14(2)29-19-9-15(10-26-22(19)24)16-11-27-28(12-16)17-5-7-25-8-6-17;1-2/h3-4,9-12,14,17,25H,5-8,30H2,1-2H3,(H2,24,26);1-2H3.
What are the key properties of 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane?
3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane has a molecular weight of 473.99 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane is sourced from PubChem (CID 144887695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).