acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

C37H46N6OS — CID 142389143

IUPACacetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
SMILESCC.CC=O.CNCc1sc(-c2cccc(-c3cccc(Nc4nccc5cc(CN6CCCC6)cnc45)c3C)c2C)nc1C
InChIInChI=1S/C33H36N6S.C2H4O.C2H6/c1-21-26(9-7-11-28(21)33-37-23(3)30(40-33)19-34-4)27-10-8-12-29(22(27)2)38-32-31-25(13-14-35-32)17-24(18-36-31)20-39-15-5-6-16-39;1-2-3;1-2/h7-14,17-18,34H,5-6,15-16,19-20H2,1-4H3,(H,35,38);2H,1H3;1-2H3
InChIKeyJDZGWOAVHKSJPC-UHFFFAOYSA-N
MW622.88 g/mol
LogP8.64
Rot. Bonds8

About acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine (PubChem CID 142389143) has the molecular formula C37H46N6OS and a molecular weight of 622.88 g/mol. Its IUPAC name is acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine.

Molecular Properties

Compound Nameacetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
PubChem CID142389143
Molecular FormulaC37H46N6OS
Molecular Weight622.88 g/mol
Exact Mass622.35
IUPAC Nameacetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
SMILESCC.CC=O.CNCc1sc(-c2cccc(-c3cccc(Nc4nccc5cc(CN6CCCC6)cnc45)c3C)c2C)nc1C
InChIInChI=1S/C33H36N6S.C2H4O.C2H6/c1-21-26(9-7-11-28(21)33-37-23(3)30(40-33)19-34-4)27-10-8-12-29(22(27)2)38-32-31-25(13-14-35-32)17-24(18-36-31)20-39-15-5-6-16-39;1-2-3;1-2/h7-14,17-18,34H,5-6,15-16,19-20H2,1-4H3,(H,35,38);2H,1H3;1-2H3
InChIKeyJDZGWOAVHKSJPC-UHFFFAOYSA-N
XLogP8.64
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.88
LogP ≤ 58.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine 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

8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridine-3-carbaldehyde
CID 135165280
N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-2-(pyrrolidin-1-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 135173836
1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135145756
(E)-2-[(E)-[5-methylidene-6-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]pyrimidin-4-ylidene]methyl]but-2-enal;propane
CID 142389162
[1-[[8-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-yl]-phosphanylmethanone
CID 170078466
N-[2-methyl-3-[2-methyl-3-[6-(pyrrolidin-1-ylmethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
CID 166672808
N-[2-chloro-3-[2-chloro-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine
CID 135174096
2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]ethanone
CID 142389165
1-[[8-[2-methyl-3-[2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]pyrrolidin-3-ol
CID 135146000
2-(dimethylamino)-1-[2-[2-methyl-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]ethanone
CID 175711284
N-[3-[3-[(Z)-2-fluoro-2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]-2-methylphenyl]-2-methylphenyl]-3-(piperidin-1-ylmethyl)-1,7-naphthyridin-8-amine
CID 146301222
1-[[2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-[1,3]oxazolo[5,4-b]pyridin-6-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 175878045

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The IUPAC name of acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine (CID 142389143) is acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine.
What is the SMILES notation for acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The canonical SMILES for acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine is CC.CC=O.CNCc1sc(-c2cccc(-c3cccc(Nc4nccc5cc(CN6CCCC6)cnc45)c3C)c2C)nc1C.
What is the InChIKey of acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
The InChIKey is JDZGWOAVHKSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6S.C2H4O.C2H6/c1-21-26(9-7-11-28(21)33-37-23(3)30(40-33)19-34-4)27-10-8-12-29(22(27)2)38-32-31-25(13-14-35-32)17-24(18-36-31)20-39-15-5-6-16-39;1-2-3;1-2/h7-14,17-18,34H,5-6,15-16,19-20H2,1-4H3,(H,35,38);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine?
acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine has a molecular weight of 622.88 g/mol, XLogP of 8.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;N-[2-methyl-3-[2-methyl-3-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine is sourced from PubChem (CID 142389143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).