methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine

C21H28F3N7O — CID 155730313

IUPACmethoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine
SMILESCCOC.CNCCC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F
InChIInChI=1S/C18H20F3N7.C3H8O/c1-24-6-5-14(18(19,20)21)11-2-3-15(26-8-11)28-10-12(9-27-28)13-4-7-25-17(23)16(13)22;1-3-4-2/h2-4,7-10,14,24H,5-6,22H2,1H3,(H2,23,25);3H2,1-2H3
InChIKeyAZKSUCMRCOZTEH-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.40
Rot. Bonds7

About methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine

methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine (PubChem CID 155730313) has the molecular formula C21H28F3N7O and a molecular weight of 451.50 g/mol. Its IUPAC name is methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Namemethoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine
PubChem CID155730313
Molecular FormulaC21H28F3N7O
Molecular Weight451.50 g/mol
Exact Mass451.23
IUPAC Namemethoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine
SMILESCCOC.CNCCC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F
InChIInChI=1S/C18H20F3N7.C3H8O/c1-24-6-5-14(18(19,20)21)11-2-3-15(26-8-11)28-10-12(9-27-28)13-4-7-25-17(23)16(13)22;1-3-4-2/h2-4,7-10,14,24H,5-6,22H2,1H3,(H2,23,25);3H2,1-2H3
InChIKeyAZKSUCMRCOZTEH-UHFFFAOYSA-N
XLogP3.40
TPSA116.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine 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

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
BI-1935
CID 57861407
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
Sutidiazine
CID 92045019
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
Arylpyrazole, 23
CID 44143423
Arylpyrazole, 24
CID 44143424
N-(5-Piperidin-4-Yl-1-Propan-2-Yl-Pyrazol-3-Yl)-4-(Trifluoromethyl)pyridin-2-Amine
CID 91936969
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 122234475
5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
CID 155553415
5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162670790
5-[[5-(1-methylpyrazol-4-yl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610918

Frequently Asked Questions

What is the IUPAC name of methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine?
The IUPAC name of methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine (CID 155730313) is methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine.
What is the SMILES notation for methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine?
The canonical SMILES for methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine is CCOC.CNCCC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F.
What is the InChIKey of methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine?
The InChIKey is AZKSUCMRCOZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7.C3H8O/c1-24-6-5-14(18(19,20)21)11-2-3-15(26-8-11)28-10-12(9-27-28)13-4-7-25-17(23)16(13)22;1-3-4-2/h2-4,7-10,14,24H,5-6,22H2,1H3,(H2,23,25);3H2,1-2H3.
What are the key properties of methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine?
methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine has a molecular weight of 451.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;4-[1-[5-[1,1,1-trifluoro-4-(methylamino)butan-2-yl]-2-pyridinyl]pyrazol-4-yl]pyridine-2,3-diamine is sourced from PubChem (CID 155730313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).